 Entering Gaussian System, Link 0=g16
 Input=02_dimethylenespyropentane_STD_wB97XD-def2SVPDr.in
 Output=02_dimethylenespyropentane_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/02_dimethylenespyropentane_STD/Gau-39267.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/02_dimethylenespyropentane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     39268.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=02_dimethylenespyropentane_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 17:36:06 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "02_dimethylenespyropentane_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.990052000000      0.908560000000      1.004401000000
  C                                                -0.000001000000      0.353124000000      0.000001000000
  C                                                 1.353354000000     -0.135911000000      0.027075000000
  C                                                 2.271045000000     -0.944010000000     -0.460952000000
  C                                                -0.990057000000      0.908584000000     -1.004381000000
  C                                                -1.353358000000     -0.135911000000     -0.027085000000
  C                                                -2.271038000000     -0.944025000000      0.460937000000
  H                                                -1.356942000000      1.917200000000     -0.842556000000
  H                                                -0.864204000000      0.629254000000     -2.045363000000
  H                                                 1.356934000000      1.917181000000      0.842602000000
  H                                                 0.864199000000      0.629198000000      2.045374000000
  H                                                 2.047716000000     -1.619089000000     -1.278071000000
  H                                                 3.277396000000     -0.958534000000     -0.060790000000
  H                                                -3.277391000000     -0.958559000000      0.060781000000
  H                                                -2.047691000000     -1.619115000000      1.278043000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     15 NQM=       15 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15
 IAtWgt=           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 17:36:06 2021, MaxMem= 10737418240 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.990052    0.908560    1.004401
      2          6           0       -0.000001    0.353124    0.000001
      3          6           0        1.353354   -0.135911    0.027075
      4          6           0        2.271045   -0.944010   -0.460952
      5          6           0       -0.990057    0.908584   -1.004381
      6          6           0       -1.353358   -0.135911   -0.027085
      7          6           0       -2.271038   -0.944025    0.460937
      8          1           0       -1.356942    1.917200   -0.842556
      9          1           0       -0.864204    0.629254   -2.045363
     10          1           0        1.356934    1.917181    0.842602
     11          1           0        0.864199    0.629198    2.045374
     12          1           0        2.047716   -1.619089   -1.278071
     13          1           0        3.277396   -0.958534   -0.060790
     14          1           0       -3.277391   -0.958559    0.060781
     15          1           0       -2.047691   -1.619115    1.278043
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515762   0.000000
     3  C    1.475830   1.439256   0.000000
     4  C    2.687046   2.655689   1.316568   0.000000
     5  C    2.820645   1.515761   2.765221   3.789750   0.000000
     6  C    2.765222   1.439258   2.707254   3.738658   1.475827
     7  C    3.789740   2.655686   3.738650   4.634695   2.687048
     8  H    3.152298   2.235514   3.509591   4.636209   1.085402
     9  H    3.580131   2.237545   3.130182   3.849065   1.085130
    10  H    1.085402   2.235514   2.209136   3.274334   3.152298
    11  H    1.085130   2.237545   2.213187   3.276564   3.580130
    12  H    3.566138   3.117088   2.094126   1.083186   3.961326
    13  H    3.138887   3.530648   2.094365   1.083090   4.752646
    14  H    4.752644   3.530650   4.703370   5.572931   3.138899
    15  H    3.961301   3.117074   3.915600   4.704397   3.566134
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.316568   0.000000
     8  H    2.209133   3.274336   0.000000
     9  H    2.213187   3.276573   1.829847   0.000000
    10  H    3.509590   4.636200   3.194508   3.864266   0.000000
    11  H    3.130182   3.849050   3.864267   4.440890   1.829849
    12  H    3.915621   4.704412   4.928155   3.758066   4.180866
    13  H    4.703374   5.572928   5.509818   4.859264   3.574077
    14  H    2.094367   1.083089   3.574092   3.574978   5.509818
    15  H    2.094123   1.083186   4.180861   4.183400   4.928130
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.183395   0.000000
    13  H    3.574960   1.852085   0.000000
    14  H    4.859254   5.530424   6.555914   0.000000
    15  H    3.758033   4.827637   5.530406   1.852086   0.000000
 Stoichiometry    C7H8
 Framework group  C1[X(C7H8)]
 Deg. of freedom    39
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.95D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.990052    0.908560    1.004401
      2          6           0       -0.000001    0.353124    0.000001
      3          6           0        1.353354   -0.135911    0.027075
      4          6           0        2.271045   -0.944010   -0.460952
      5          6           0       -0.990057    0.908584   -1.004381
      6          6           0       -1.353358   -0.135911   -0.027085
      7          6           0       -2.271038   -0.944025    0.460937
      8          1           0       -1.356942    1.917200   -0.842556
      9          1           0       -0.864204    0.629254   -2.045363
     10          1           0        1.356934    1.917181    0.842602
     11          1           0        0.864199    0.629198    2.045374
     12          1           0        2.047716   -1.619089   -1.278071
     13          1           0        3.277396   -0.958534   -0.060790
     14          1           0       -3.277391   -0.958559    0.060781
     15          1           0       -2.047691   -1.619115    1.278043
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.0050458           1.8781974           1.7728373
 Leave Link  202 at Fri Jul 23 17:36:07 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14     15
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   218 symmetry adapted cartesian basis functions of A   symmetry.
 There are   204 symmetry adapted basis functions of A   symmetry.
   204 basis functions,   304 primitive gaussians,   218 cartesian basis functions
    25 alpha electrons       25 beta electrons
       nuclear repulsion energy       262.3876293527 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   15 NActive=   15 NUniq=   15 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0060957676 Hartrees.
 Nuclear repulsion after empirical dispersion term =      262.3815335850 Hartrees.
 Leave Link  301 at Fri Jul 23 17:36:08 2021, MaxMem= 10737418240 cpu:              14.9 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   204 RedAO= T EigKep=  4.39D-05  NBF=   204
 NBsUse=   204 1.00D-06 EigRej= -1.00D+00 NBFU=   204
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   218   218   218   218   218 MxSgAt=    15 MxSgA2=    15.
 Leave Link  302 at Fri Jul 23 17:36:09 2021, MaxMem= 10737418240 cpu:               5.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 17:36:09 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "02_dimethylenespyropentane_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 17:36:10 2021, MaxMem= 10737418240 cpu:               4.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737317467 LenY= 10737269502
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -271.129667809335    
 DIIS: error= 5.29D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -271.129667809335     IErMin= 1 ErrMin= 5.29D-03
 ErrMax= 5.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.63D-03 BMatP= 5.63D-03
 IDIUse=3 WtCom= 9.47D-01 WtEn= 5.29D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.392 Goal=   None    Shift=    0.000
 GapD=    0.392 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.93D-03 MaxDP=1.72D-01              OVMax= 1.50D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.57D-03    CP:  1.09D+00
 E= -271.135004189156     Delta-E=       -0.005336379821 Rises=F Damp=F
 DIIS: error= 6.37D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -271.135004189156     IErMin= 2 ErrMin= 6.37D-04
 ErrMax= 6.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-04 BMatP= 5.63D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.37D-03
 Coeff-Com: -0.632D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.628D-01 0.106D+01
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=9.03D-04 MaxDP=2.68D-02 DE=-5.34D-03 OVMax= 5.86D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.25D-04    CP:  1.10D+00  1.13D+00
 E= -271.135220994563     Delta-E=       -0.000216805408 Rises=F Damp=F
 DIIS: error= 3.40D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -271.135220994563     IErMin= 3 ErrMin= 3.40D-04
 ErrMax= 3.40D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-05 BMatP= 1.13D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.40D-03
 Coeff-Com: -0.431D-01 0.369D+00 0.674D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.429D-01 0.368D+00 0.675D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=9.79D-05 MaxDP=2.78D-03 DE=-2.17D-04 OVMax= 1.30D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.46D-05    CP:  1.10D+00  1.14D+00  1.05D+00
 E= -271.135259160226     Delta-E=       -0.000038165663 Rises=F Damp=F
 DIIS: error= 1.01D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -271.135259160226     IErMin= 4 ErrMin= 1.01D-04
 ErrMax= 1.01D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.90D-06 BMatP= 3.67D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.01D-03
 Coeff-Com: -0.609D-02-0.254D-02 0.165D+00 0.844D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.609D-02-0.254D-02 0.165D+00 0.844D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=4.20D-05 MaxDP=9.90D-04 DE=-3.82D-05 OVMax= 1.06D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.17D-05    CP:  1.10D+00  1.14D+00  1.11D+00  1.02D+00
 E= -271.135262050115     Delta-E=       -0.000002889888 Rises=F Damp=F
 DIIS: error= 6.42D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -271.135262050115     IErMin= 5 ErrMin= 6.42D-05
 ErrMax= 6.42D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-06 BMatP= 2.90D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.220D-02-0.458D-01-0.755D-02 0.447D+00 0.604D+00
 Coeff:      0.220D-02-0.458D-01-0.755D-02 0.447D+00 0.604D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=1.37D-05 MaxDP=3.34D-04 DE=-2.89D-06 OVMax= 3.08D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.07D-05    CP:  1.10D+00  1.14D+00  1.13D+00  1.07D+00  9.73D-01
 E= -271.135263374553     Delta-E=       -0.000001324438 Rises=F Damp=F
 DIIS: error= 5.22D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -271.135263374553     IErMin= 6 ErrMin= 5.22D-06
 ErrMax= 5.22D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.60D-09 BMatP= 1.28D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.324D-03-0.187D-02-0.732D-02-0.875D-02 0.574D-02 0.101D+01
 Coeff:      0.324D-03-0.187D-02-0.732D-02-0.875D-02 0.574D-02 0.101D+01
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=5.28D-06 MaxDP=2.31D-04 DE=-1.32D-06 OVMax= 5.95D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.08D-06    CP:  1.10D+00  1.14D+00  1.13D+00  1.07D+00  1.04D+00
                    CP:  1.26D+00
 E= -271.135263393827     Delta-E=       -0.000000019274 Rises=F Damp=F
 DIIS: error= 2.16D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -271.135263393827     IErMin= 7 ErrMin= 2.16D-06
 ErrMax= 2.16D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-09 BMatP= 6.60D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.605D-04 0.300D-02-0.219D-02-0.379D-01-0.497D-01 0.334D+00
 Coeff-Com:  0.753D+00
 Coeff:     -0.605D-04 0.300D-02-0.219D-02-0.379D-01-0.497D-01 0.334D+00
 Coeff:      0.753D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=1.43D-06 MaxDP=5.52D-05 DE=-1.93D-08 OVMax= 1.90D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.23D-07    CP:  1.10D+00  1.14D+00  1.13D+00  1.07D+00  1.06D+00
                    CP:  1.33D+00  1.05D+00
 E= -271.135263396987     Delta-E=       -0.000000003161 Rises=F Damp=F
 DIIS: error= 7.06D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -271.135263396987     IErMin= 8 ErrMin= 7.06D-07
 ErrMax= 7.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-10 BMatP= 1.96D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.564D-04 0.938D-03 0.414D-03-0.667D-02-0.130D-01-0.671D-01
 Coeff-Com:  0.172D+00 0.914D+00
 Coeff:     -0.564D-04 0.938D-03 0.414D-03-0.667D-02-0.130D-01-0.671D-01
 Coeff:      0.172D+00 0.914D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=4.08D-07 MaxDP=1.06D-05 DE=-3.16D-09 OVMax= 8.07D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.27D-07    CP:  1.10D+00  1.14D+00  1.13D+00  1.07D+00  1.06D+00
                    CP:  1.35D+00  1.17D+00  1.06D+00
 E= -271.135263397315     Delta-E=       -0.000000000328 Rises=F Damp=F
 DIIS: error= 1.59D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -271.135263397315     IErMin= 9 ErrMin= 1.59D-07
 ErrMax= 1.59D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.73D-12 BMatP= 1.62D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.331D-05-0.167D-03 0.379D-04 0.226D-02 0.217D-02-0.150D-01
 Coeff-Com: -0.402D-01-0.298D-01 0.108D+01
 Coeff:      0.331D-05-0.167D-03 0.379D-04 0.226D-02 0.217D-02-0.150D-01
 Coeff:     -0.402D-01-0.298D-01 0.108D+01
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=1.23D-07 MaxDP=3.43D-06 DE=-3.28D-10 OVMax= 1.88D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.96D-08    CP:  1.10D+00  1.14D+00  1.13D+00  1.07D+00  1.06D+00
                    CP:  1.34D+00  1.18D+00  1.10D+00  1.19D+00
 E= -271.135263397335     Delta-E=       -0.000000000020 Rises=F Damp=F
 DIIS: error= 3.06D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -271.135263397335     IErMin=10 ErrMin= 3.06D-08
 ErrMax= 3.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.80D-13 BMatP= 4.73D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.308D-05-0.607D-04-0.212D-04 0.576D-03 0.712D-03 0.237D-02
 Coeff-Com: -0.109D-01-0.509D-01 0.914D-01 0.967D+00
 Coeff:      0.308D-05-0.607D-04-0.212D-04 0.576D-03 0.712D-03 0.237D-02
 Coeff:     -0.109D-01-0.509D-01 0.914D-01 0.967D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=2.87D-08 MaxDP=9.07D-07 DE=-1.98D-11 OVMax= 4.54D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.11D-08    CP:  1.10D+00  1.14D+00  1.13D+00  1.07D+00  1.06D+00
                    CP:  1.34D+00  1.18D+00  1.10D+00  1.24D+00  1.18D+00
 E= -271.135263397340     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 8.38D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -271.135263397340     IErMin=11 ErrMin= 8.38D-09
 ErrMax= 8.38D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-14 BMatP= 2.80D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.359D-07 0.938D-05-0.542D-05-0.132D-03-0.158D-03 0.133D-02
 Coeff-Com:  0.252D-02-0.166D-02-0.799D-01 0.492D-01 0.103D+01
 Coeff:     -0.359D-07 0.938D-05-0.542D-05-0.132D-03-0.158D-03 0.133D-02
 Coeff:      0.252D-02-0.166D-02-0.799D-01 0.492D-01 0.103D+01
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=7.19D-09 MaxDP=1.32D-07 DE=-4.32D-12 OVMax= 1.32D-07

 SCF Done:  E(RwB97XD) =  -271.135263397     A.U. after   11 cycles
            NFock= 11  Conv=0.72D-08     -V/T= 2.0123
 KE= 2.678432257792D+02 PE=-1.150685839866D+03 EE= 3.493258171046D+02
 Leave Link  502 at Fri Jul 23 17:36:38 2021, MaxMem= 10737418240 cpu:             440.0 elap:              27.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   204
 NBasis=   204 NAE=    25 NBE=    25 NFC=     0 NFV=     0
 NROrb=    204 NOA=    25 NOB=    25 NVA=   179 NVB=   179

 **** Warning!!: The largest alpha MO coefficient is  0.48552197D+02

 Leave Link  801 at Fri Jul 23 17:36:38 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4527 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          15
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.46D-14 8.33D-09 XBig12= 1.00D+00 4.55D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.46D-14 8.33D-09 XBig12= 1.51D-01 7.49D-02.
     11 vectors produced by pass  2 Test12= 7.46D-14 8.33D-09 XBig12= 2.67D-02 5.12D-02.
     11 vectors produced by pass  3 Test12= 7.46D-14 8.33D-09 XBig12= 2.13D-03 1.16D-02.
     11 vectors produced by pass  4 Test12= 7.46D-14 8.33D-09 XBig12= 9.57D-05 2.16D-03.
     11 vectors produced by pass  5 Test12= 7.46D-14 8.33D-09 XBig12= 3.88D-06 4.54D-04.
     11 vectors produced by pass  6 Test12= 7.46D-14 8.33D-09 XBig12= 1.14D-07 6.51D-05.
     11 vectors produced by pass  7 Test12= 7.46D-14 8.33D-09 XBig12= 2.18D-09 8.18D-06.
     11 vectors produced by pass  8 Test12= 7.46D-14 8.33D-09 XBig12= 2.60D-11 9.85D-07.
      8 vectors produced by pass  9 Test12= 7.46D-14 8.33D-09 XBig12= 3.07D-13 1.63D-07.
      2 vectors produced by pass 10 Test12= 7.46D-14 8.33D-09 XBig12= 4.70D-15 1.62D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.115468D+03
      2 -0.180583D-05  0.803449D+02
      3 -0.467907D+01 -0.144750D-04  0.730051D+02
 Isotropic polarizability for W=    0.085645       89.61 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.107114D-02 -0.778904D+02 -0.874925D-03
      2  -0.155012D-02  0.291685D+02  0.253051D-03
      3   0.478978D-03  0.487219D+02  0.621875D-03
      4  -0.110347D+03 -0.145586D-02  0.607851D+02
      5  -0.939018D-03  0.617945D+02  0.119328D-02
      6   0.408611D+02 -0.101293D-03  0.334472D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.522111D+01 -0.909427D-04  0.395478D+01
      2   0.302882D-04  0.199489D+02  0.254054D-03
      3   0.344364D+02  0.422147D-03 -0.163675D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.100944D+01 -0.354344D-03  0.453772D+02
      2   0.640929D-04  0.199240D+02  0.714298D-03
      3  -0.324570D+02 -0.942641D-04 -0.209334D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.204308D+01 -0.211177D-04 -0.798277D+01
      2  -0.211177D-04 -0.581329D+01 -0.915460D-04
      3  -0.798277D+01 -0.915460D-04  0.213055D+01
 OR G Eigenvalues:    -5.8961    -5.8133    10.0697  Iso=     0.5466
 Eigenvectors:
   (1)   0.709041   0.000961   0.705167
   (2)  -0.000683   1.000000  -0.000675
   (3)  -0.705167  -0.000003   0.709041
 w=    0.085645 a.u., Optical Rotation Beta=      0.5466 au.
 Molar Mass =     92.1402 grams/mole, [Alpha] ( 5320.0 A) =      281.32 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   20910 ScalPx= 2.10D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20910 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.38D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.24D-14 2.78D-09 XBig12= 1.00D+00 4.15D-01.
     30 vectors produced by pass  1 Test12= 1.24D-14 2.78D-09 XBig12= 3.96D-02 5.44D-02.
     30 vectors produced by pass  2 Test12= 1.24D-14 2.78D-09 XBig12= 1.54D-03 1.07D-02.
     30 vectors produced by pass  3 Test12= 1.24D-14 2.78D-09 XBig12= 1.61D-05 7.21D-04.
     30 vectors produced by pass  4 Test12= 1.24D-14 2.78D-09 XBig12= 1.89D-07 6.84D-05.
     30 vectors produced by pass  5 Test12= 1.24D-14 2.78D-09 XBig12= 2.03D-09 6.38D-06.
     30 vectors produced by pass  6 Test12= 1.24D-14 2.78D-09 XBig12= 1.19D-11 5.61D-07.
     30 vectors produced by pass  7 Test12= 1.24D-14 2.78D-09 XBig12= 7.47D-14 4.20D-08.
      1 vectors produced by pass  8 Test12= 1.24D-14 2.78D-09 XBig12= 5.38D-16 3.37D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.22D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20910 ScalPx= 4.86D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   20910 ScalPx= 4.86D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   20910 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.99D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.115468D+03 -0.180583D-05 -0.467907D+01
      2  -0.180583D-05  0.803449D+02 -0.144750D-04
      3  -0.467907D+01 -0.144750D-04  0.730051D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.522111D+01 -0.909427D-04  0.395478D+01
      2   0.302882D-04  0.199489D+02  0.254054D-03
      3   0.344364D+02  0.422147D-03 -0.163675D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.107114D-02 -0.778904D+02 -0.874925D-03
      2  -0.155012D-02  0.291685D+02  0.253051D-03
      3   0.478978D-03  0.487219D+02  0.621875D-03
      4  -0.110347D+03 -0.145586D-02  0.607851D+02
      5  -0.939018D-03  0.617945D+02  0.119328D-02
      6   0.408611D+02 -0.101293D-03  0.334472D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.104616D+02  0.440325D+01  0.567083D+01 -0.243076D+01 -0.120149D+01
      2   0.440325D+01 -0.233916D+01  0.288973D+00 -0.120149D+01 -0.408137D+01
      3   0.567083D+01  0.288973D+00  0.192072D+01  0.310534D-01  0.196676D-01
                 6             7             8             9            10 
      1   0.310534D-01  0.331342D+01  0.286735D+01  0.250261D+01  0.623427D-03
      2   0.196676D-01  0.286735D+01  0.191064D+01  0.649097D+00 -0.106510D+02
      3   0.226762D+01  0.250261D+01  0.649097D+00 -0.431556D+01 -0.116557D-03
                11            12            13            14            15 
      1  -0.106510D+02 -0.116557D-03 -0.830799D+01  0.169828D-03 -0.493515D+01
      2   0.292602D-04 -0.485386D+00  0.169828D-03 -0.185120D+01  0.144392D-04
      3  -0.485386D+00  0.485694D-05 -0.493515D+01  0.144392D-04 -0.139580D+01
                16            17            18            19            20 
      1  -0.134731D-03 -0.683713D+01 -0.133819D-03 -0.123752D+02  0.769882D+01
      2  -0.683713D+01  0.000000D+00 -0.145875D+01  0.769882D+01 -0.569468D+01
      3  -0.133819D-03 -0.145875D+01 -0.108923D-03  0.339348D+01 -0.153421D+01
                21            22            23            24            25 
      1   0.339348D+01  0.139265D+02 -0.556214D+01  0.135215D+00  0.113129D+02
      2  -0.153421D+01 -0.556214D+01  0.686409D+01  0.423716D+00 -0.727108D+00
      3  -0.346530D+01  0.135215D+00  0.423716D+00  0.667101D+00 -0.166686D+01
                26            27            28            29            30 
      1  -0.727108D+00 -0.166686D+01  0.655412D+01 -0.436352D+01 -0.706564D+01
      2   0.696840D-01  0.822000D+00 -0.436352D+01  0.433957D+01  0.165381D+01
      3   0.822000D+00  0.235380D+01 -0.706564D+01  0.165381D+01  0.413326D+01
                31            32            33            34            35 
      1  -0.740439D+01  0.859506D+01 -0.132444D+01 -0.119515D+02  0.142415D+00
      2   0.859506D+01 -0.908000D+01  0.171933D+01  0.142415D+00  0.327139D+01
      3  -0.132444D+01  0.171933D+01  0.188418D+01  0.580861D+01  0.373358D+00
                36            37            38            39            40 
      1   0.580861D+01 -0.104617D+02  0.440336D+01 -0.567069D+01 -0.243073D+01
      2   0.373358D+00  0.440336D+01  0.233915D+01  0.289097D+00  0.120141D+01
      3  -0.241438D+01 -0.567069D+01  0.289097D+00 -0.192073D+01  0.311569D-01
                41            42            43            44            45 
      1   0.120141D+01  0.311569D-01 -0.331336D+01  0.286748D+01 -0.250259D+01
      2  -0.408141D+01 -0.197424D-01  0.286748D+01 -0.191065D+01  0.648781D+00
      3  -0.197424D-01  0.226741D+01 -0.250259D+01  0.648781D+00  0.431589D+01
                46            47            48            49            50 
      1   0.123741D+02  0.769875D+01 -0.339335D+01  0.139265D+02  0.556212D+01
      2   0.769875D+01  0.569472D+01 -0.153422D+01  0.556212D+01  0.686425D+01
      3  -0.339335D+01 -0.153422D+01  0.346525D+01  0.135198D+00 -0.423771D+00
                51            52            53            54            55 
      1   0.135198D+00 -0.113128D+02 -0.727120D+00  0.166694D+01 -0.655361D+01
      2  -0.423771D+00 -0.727120D+00 -0.697361D-01  0.822156D+00 -0.436349D+01
      3   0.667229D+00  0.166694D+01  0.822156D+00 -0.235395D+01  0.706556D+01
                56            57            58            59            60 
      1  -0.436349D+01  0.706556D+01 -0.740428D+01 -0.859498D+01 -0.132435D+01
      2  -0.433962D+01  0.165393D+01 -0.859498D+01 -0.907996D+01 -0.171945D+01
      3   0.165393D+01 -0.413331D+01 -0.132435D+01 -0.171945D+01  0.188404D+01
                61            62            63            64            65 
      1   0.119514D+02  0.142523D+00 -0.580873D+01 -0.950372D+00  0.156143D+01
      2   0.142523D+00 -0.327147D+01  0.373155D+00  0.156143D+01 -0.306762D+01
      3  -0.580873D+01  0.373155D+00  0.241456D+01  0.902690D-01  0.764550D+00
                66            67            68            69            70 
      1   0.902690D-01  0.363470D+01 -0.303286D+01  0.799532D+00  0.151683D+01
      2   0.764550D+00 -0.303286D+01  0.105203D+02 -0.220373D+01 -0.373940D+00
      3  -0.729795D+00  0.799532D+00 -0.220373D+01  0.172768D+01 -0.376889D+00
                71            72            73            74            75 
      1  -0.373940D+00 -0.376889D+00  0.106579D+01 -0.905129D-01 -0.426966D+00
      2   0.744863D+00  0.121479D+01 -0.905129D-01 -0.347802D+00 -0.948351D-01
      3   0.121479D+01 -0.116737D+01 -0.426966D+00 -0.948351D-01  0.104783D+01
                76            77            78            79            80 
      1  -0.613590D+00 -0.499454D+00 -0.127978D-01 -0.201614D+01 -0.282070D+00
      2  -0.499454D+00  0.686559D+00 -0.116322D+01 -0.282070D+00 -0.184125D+01
      3  -0.127978D-01 -0.116322D+01 -0.171667D+01 -0.696073D+00  0.175408D+01
                81            82            83            84            85 
      1  -0.696073D+00  0.950341D+00  0.156141D+01 -0.902449D-01  0.363472D+01
      2   0.175408D+01  0.156141D+01  0.306755D+01  0.764596D+00  0.303283D+01
      3  -0.110115D+02 -0.902449D-01  0.764596D+00  0.729822D+00  0.799586D+00
                86            87            88            89            90 
      1   0.303283D+01  0.799586D+00 -0.151674D+01 -0.373874D+00  0.376896D+00
      2   0.105202D+02  0.220390D+01 -0.373874D+00 -0.744683D+00  0.121479D+01
      3   0.220390D+01  0.172775D+01  0.376896D+00  0.121479D+01  0.116744D+01
                91            92            93            94            95 
      1  -0.106578D+01 -0.905366D-01  0.426941D+00 -0.613628D+00  0.499458D+00
      2  -0.905366D-01  0.347815D+00 -0.947930D-01  0.499458D+00  0.686430D+00
      3   0.426941D+00 -0.947930D-01 -0.104783D+01 -0.128057D-01  0.116322D+01
                96            97            98            99           100 
      1  -0.128057D-01  0.201613D+01 -0.282074D+00  0.696051D+00  0.200863D+01
      2   0.116322D+01 -0.282074D+00  0.184116D+01  0.175382D+01 -0.121498D+01
      3  -0.171692D+01  0.696051D+00  0.175382D+01  0.110115D+02 -0.287403D+00
               101           102           103           104           105 
      1  -0.121498D+01 -0.287403D+00 -0.207460D+01  0.128620D+01  0.162145D+01
      2  -0.389334D+00 -0.668375D+00  0.128620D+01 -0.368967D+01 -0.321101D+01
      3  -0.668375D+00 -0.120121D+01  0.162145D+01 -0.321101D+01 -0.363633D+01
               106           107           108           109           110 
      1  -0.974935D+00  0.152053D+01  0.102580D+01  0.131750D+02 -0.266899D+01
      2   0.152053D+01 -0.438809D+01 -0.352123D+01 -0.266899D+01  0.179368D+01
      3   0.102580D+01 -0.352123D+01 -0.454531D+01  0.146189D+01 -0.167320D+00
               111           112           113           114           115 
      1   0.146189D+01 -0.883837D+00  0.121428D+01  0.121749D+01  0.478462D+01
      2  -0.167320D+00  0.121428D+01 -0.294133D+00 -0.511556D+00  0.271302D+00
      3   0.115665D+01  0.121749D+01 -0.511556D+00 -0.495504D+00  0.142665D+01
               116           117           118           119           120 
      1   0.271302D+00  0.142665D+01 -0.131750D+02 -0.266907D+01 -0.146192D+01
      2  -0.561168D+00 -0.562446D+00 -0.266907D+01 -0.179372D+01 -0.167354D+00
      3  -0.562446D+00  0.665234D+00 -0.146192D+01 -0.167354D+00 -0.115663D+01
               121           122           123           124           125 
      1  -0.883977D+00 -0.121437D+01  0.121747D+01 -0.478464D+01  0.271254D+00
      2  -0.121437D+01 -0.294217D+00  0.511579D+00  0.271254D+00  0.561181D+00
      3   0.121747D+01  0.511579D+00 -0.495509D+00 -0.142661D+01 -0.562430D+00
               126           127           128           129           130 
      1  -0.142661D+01 -0.200857D+01 -0.121496D+01  0.287371D+00 -0.207460D+01
      2  -0.562430D+00 -0.121496D+01  0.389425D+00 -0.668449D+00 -0.128622D+01
      3  -0.665253D+00  0.287371D+00 -0.668449D+00  0.120126D+01  0.162139D+01
               131           132           133           134           135 
      1  -0.128622D+01  0.162139D+01  0.974899D+00  0.152046D+01 -0.102567D+01
      2  -0.368985D+01  0.321104D+01  0.152046D+01  0.438814D+01 -0.352116D+01
      3   0.321104D+01 -0.363627D+01 -0.102567D+01 -0.352116D+01  0.454509D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.139782D+01 -0.370897D+01 -0.369577D+01 -0.466585D+00 -0.105663D+02
      2   0.677983D+00 -0.201324D+00  0.283964D+01 -0.479818D+01  0.607853D+01
      3   0.397244D+01  0.330397D+01  0.477801D+01  0.590165D+01  0.318897D+01
                 6             7             8             9            10 
      1  -0.885209D+01 -0.246110D+01  0.822006D+01  0.115577D+02 -0.156528D-03
      2   0.498219D+01 -0.271985D+01 -0.135055D+01 -0.890517D+01  0.741701D+01
      3   0.822236D+00  0.410091D+01 -0.139170D+01 -0.565418D+00  0.509890D-03
                11            12            13            14            15 
      1   0.556193D+00  0.141994D-05 -0.106361D+02  0.283952D-04 -0.253500D+01
      2   0.210182D-05  0.975739D+01 -0.161947D-04 -0.338319D+01 -0.556824D-04
      3  -0.166303D+02 -0.316671D-04  0.184317D+02  0.714363D-04 -0.507743D+00
                16            17            18            19            20 
      1  -0.131906D-03  0.885602D+00  0.153361D-04 -0.602438D+00  0.239961D+01
      2  -0.224978D+02 -0.125661D-03  0.150989D+01  0.100162D+01  0.136288D+01
      3  -0.730347D-05 -0.384022D+01 -0.176775D-04  0.583862D+00  0.581737D+01
                21            22            23            24            25 
      1  -0.554211D+01  0.360448D+01 -0.773743D+01 -0.204713D+01 -0.102096D+02
      2  -0.446944D+01  0.106486D+01 -0.237364D+01  0.277044D+01 -0.176426D+02
      3  -0.468226D+01  0.226687D+02 -0.188171D+02  0.178515D+00  0.126134D+00
                26            27            28            29            30 
      1   0.576306D+01  0.515328D+01 -0.590149D+01 -0.258560D+01  0.526294D+01
      2   0.394059D+01  0.591305D+01 -0.158929D+02  0.629815D+01  0.102789D+02
      3   0.150289D+01  0.396466D+01  0.109555D+02 -0.125663D+02 -0.127088D+01
                31            32            33            34            35 
      1  -0.279219D+01  0.257942D+01 -0.243511D+01  0.179460D+01  0.340283D+01
      2  -0.371162D+01  0.786430D+01  0.430851D+01  0.223459D+01  0.603634D+01
      3  -0.108691D+02  0.153568D+02 -0.677484D+01  0.764267D+01 -0.873757D+01
                36            37            38            39            40 
      1   0.151559D+01 -0.139785D+01 -0.370915D+01  0.369567D+01 -0.466743D+00
      2  -0.378442D+01  0.677929D+00  0.201113D+00  0.283980D+01  0.479790D+01
      3  -0.726761D+01 -0.397247D+01  0.330420D+01 -0.477783D+01  0.590184D+01
                41            42            43            44            45 
      1   0.105662D+02 -0.885152D+01  0.246100D+01  0.822070D+01 -0.115579D+02
      2   0.607859D+01 -0.498175D+01 -0.271946D+01  0.135127D+01 -0.890565D+01
      3  -0.318889D+01  0.822097D+00 -0.410072D+01 -0.139168D+01  0.565063D+00
                46            47            48            49            50 
      1   0.602708D+00  0.239946D+01  0.554217D+01  0.360436D+01  0.773745D+01
      2   0.100181D+01 -0.136262D+01 -0.446957D+01 -0.106448D+01 -0.237346D+01
      3  -0.584503D+00  0.581699D+01  0.468219D+01  0.226684D+02  0.188170D+02
                51            52            53            54            55 
      1  -0.204686D+01  0.102098D+02  0.576332D+01 -0.515324D+01  0.590142D+01
      2  -0.277073D+01 -0.176429D+02 -0.394100D+01  0.591337D+01 -0.158929D+02
      3   0.178783D+00 -0.126196D+00  0.150321D+01 -0.396448D+01 -0.109554D+02
                56            57            58            59            60 
      1  -0.258539D+01 -0.526308D+01 -0.279206D+01 -0.257948D+01 -0.243515D+01
      2  -0.629864D+01  0.102791D+02  0.371121D+01  0.786434D+01 -0.430820D+01
      3  -0.125664D+02  0.127116D+01 -0.108689D+02 -0.153564D+02 -0.677524D+01
                61            62            63            64            65 
      1  -0.179471D+01  0.340286D+01 -0.151545D+01 -0.186048D+01  0.361574D+01
      2   0.223526D+01 -0.603588D+01 -0.378511D+01 -0.260529D+01  0.112524D+01
      3  -0.764253D+01 -0.873802D+01  0.726736D+01  0.189214D+01 -0.304962D+01
                66            67            68            69            70 
      1  -0.428881D+00  0.247945D+01 -0.114431D+02 -0.166132D+01 -0.323393D-02
      2   0.130253D+01  0.208724D+01 -0.105908D+01 -0.161556D+01  0.708341D-01
      3   0.996138D+00  0.275694D+01  0.865225D+01 -0.202211D+01  0.102169D+01
                71            72            73            74            75 
      1  -0.208244D+01  0.182448D+00  0.155655D+01 -0.338658D+00 -0.110643D+01
      2  -0.196715D+01  0.131790D+01  0.293263D+01 -0.488570D+00 -0.677010D+00
      3   0.395842D+00  0.921507D+00 -0.813722D+00 -0.145939D+01  0.846932D-02
                76            77            78            79            80 
      1   0.144598D+00 -0.188103D-01  0.336278D+01  0.551746D+00  0.237693D+01
      2  -0.878430D+00  0.103163D+01  0.279118D+01 -0.396976D+01 -0.260407D+01
      3  -0.564930D+00  0.114563D+00 -0.158093D+01 -0.294532D+01 -0.196749D+01
                81            82            83            84            85 
      1   0.117928D+02  0.186046D+01  0.361567D+01  0.428971D+00  0.247939D+01
      2   0.129951D+02 -0.260522D+01 -0.112517D+01  0.130252D+01 -0.208725D+01
      3   0.318636D+00 -0.189217D+01 -0.304958D+01 -0.996177D+00  0.275697D+01
                86            87            88            89            90 
      1   0.114432D+02 -0.166108D+01  0.328574D-02 -0.208214D+01 -0.182524D+00
      2  -0.105893D+01  0.161556D+01  0.708090D-01  0.196704D+01  0.131797D+01
      3  -0.865215D+01 -0.202223D+01 -0.102159D+01  0.395719D+00 -0.921488D+00
                91            92            93            94            95 
      1  -0.155655D+01 -0.338710D+00  0.110641D+01  0.144580D+00  0.186508D-01
      2   0.293256D+01  0.488661D+00 -0.676954D+00  0.878540D+00  0.103163D+01
      3   0.813797D+00 -0.145936D+01 -0.854700D-02 -0.564970D+00 -0.114416D+00
                96            97            98            99           100 
      1   0.336311D+01 -0.551705D+00  0.237727D+01 -0.117926D+02  0.115975D+01
      2  -0.279149D+01 -0.396979D+01  0.260372D+01  0.129949D+02 -0.108124D+01
      3  -0.158097D+01  0.294518D+01 -0.196740D+01 -0.318359D+00  0.208163D+01
               101           102           103           104           105 
      1   0.140848D+00 -0.226412D+01  0.356117D+01 -0.124907D+01 -0.493001D+01
      2  -0.220649D+01 -0.254289D+01  0.104302D+01 -0.754211D+01 -0.882993D+01
      3   0.164077D+01  0.236897D+01 -0.798164D+00  0.880522D+01  0.807998D+01
               106           107           108           109           110 
      1  -0.126378D+01  0.171490D+01 -0.467974D+01  0.298923D+01  0.199097D+00
      2   0.143626D+01 -0.981831D+01 -0.108233D+02  0.100896D+02 -0.280090D+01
      3  -0.190039D+01  0.113013D+02  0.950931D+01 -0.492719D+01 -0.546089D+01
               111           112           113           114           115 
      1   0.120360D+01 -0.437032D-01  0.178980D+00 -0.422273D+00  0.178184D+01
      2   0.664156D+01  0.329527D+01 -0.230817D+01 -0.125483D+01  0.297698D+01
      3  -0.791635D+00  0.551458D+00 -0.810454D+00  0.383576D+00 -0.589159D+01
               116           117           118           119           120 
      1   0.250352D+00  0.983092D-01 -0.298924D+01  0.199072D+00 -0.120364D+01
      2  -0.761765D+00  0.369965D+01  0.100895D+02  0.280100D+01  0.664152D+01
      3   0.816829D+00  0.161350D+01  0.492719D+01 -0.546089D+01  0.791607D+00
               121           122           123           124           125 
      1  -0.436594D-01 -0.178932D+00 -0.422305D+00 -0.178179D+01  0.250315D+00
      2  -0.329511D+01 -0.230819D+01  0.125490D+01  0.297677D+01  0.761702D+00
      3   0.551277D+00  0.810234D+00  0.383667D+00  0.589148D+01  0.816923D+00
               126           127           128           129           130 
      1  -0.983203D-01 -0.115974D+01  0.140792D+00  0.226426D+01  0.356110D+01
      2   0.369970D+01 -0.108128D+01  0.220666D+01 -0.254300D+01 -0.104294D+01
      3  -0.161349D+01 -0.208169D+01  0.164104D+01 -0.236918D+01 -0.798153D+00
               131           132           133           134           135 
      1   0.124919D+01 -0.493010D+01  0.126386D+01  0.171483D+01  0.467966D+01
      2  -0.754225D+01  0.882978D+01  0.143603D+01  0.981818D+01 -0.108228D+02
      3  -0.880569D+01  0.808014D+01  0.190027D+01  0.113014D+02 -0.950917D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.384480D+01  0.981217D+01  0.531522D+01  0.303975D+01  0.371577D+01
      2  -0.502279D+01 -0.142814D+02 -0.993392D+01 -0.547628D+01 -0.187075D+02
      3   0.886758D+01  0.446926D+01  0.461870D+01  0.243654D+01  0.149917D+02
      4   0.483193D+01 -0.629513D+01  0.224526D+01 -0.128073D+01 -0.216375D+02
      5   0.214274D+02  0.671539D+01  0.124122D+02  0.530353D+00 -0.356680D+01
      6   0.140591D+02 -0.177377D+01  0.217942D+01 -0.325723D+01 -0.340291D+01
                 6             7             8             9            10 
      1  -0.449381D+01 -0.520090D+01 -0.554906D+00  0.170534D+02  0.262755D+02
      2  -0.547401D+01 -0.225268D+01  0.530620D+01  0.114539D+02 -0.556803D+01
      3   0.996782D+01  0.745357D+01 -0.475129D+01 -0.285073D+02 -0.207075D+02
      4  -0.419644D+01  0.883322D+01  0.199385D+01  0.147275D+01 -0.529992D-03
      5   0.205903D+01  0.148090D+02  0.385138D+01 -0.339594D+01 -0.389761D+02
      6   0.421226D+01  0.675284D+01  0.658289D+01  0.193708D+01  0.505122D-03
                11            12            13            14            15 
      1  -0.114344D-03  0.576641D+00 -0.222071D-03  0.354307D+01 -0.284651D-04
      2   0.177488D-03  0.371705D+01  0.255547D-03  0.307900D+01  0.157614D-03
      3  -0.631444D-04 -0.429369D+01 -0.334763D-04 -0.662207D+01 -0.129149D-03
      4   0.176990D+02  0.146576D-03 -0.546078D+01 -0.690043D-05  0.264877D+01
      5   0.192592D-03  0.202842D+01  0.251725D-03 -0.969855D+01  0.251994D-04
      6  -0.778385D+01 -0.599679D-04 -0.110284D+02  0.285480D-03 -0.428432D+01
                16            17            18            19            20 
      1   0.119721D+02 -0.103960D-04 -0.431236D+01 -0.292239D+02  0.841991D+01
      2  -0.125204D+01  0.317658D-03 -0.679029D-01  0.111376D+02  0.502561D+01
      3  -0.107201D+02 -0.307262D-03  0.438027D+01  0.180863D+02 -0.134455D+02
      4   0.203167D-03  0.221017D+01 -0.115068D-04  0.252915D+02 -0.250269D+02
      5  -0.228280D+02 -0.941423D-04 -0.547134D+01  0.314745D+02 -0.107062D+02
      6  -0.113710D-03 -0.764464D+01 -0.238400D-03 -0.748288D+01  0.276496D+01
                21            22            23            24            25 
      1   0.118567D+02  0.216660D+02 -0.150063D+02 -0.200858D+01  0.177444D+02
      2  -0.870627D+01 -0.693777D+01  0.350968D+01  0.521742D+01 -0.741729D+01
      3  -0.315041D+01 -0.147282D+02  0.114966D+02 -0.320884D+01 -0.103271D+02
      4  -0.685052D+01 -0.226265D+02  0.328959D+02 -0.447666D+00 -0.194545D+02
      5  -0.182275D+02 -0.145281D+02  0.611943D+01  0.913272D+01 -0.677696D+01
      6   0.441716D+01  0.688824D+01 -0.428211D+01  0.461592D+01  0.676339D+01
                26            27            28            29            30 
      1  -0.102811D+01 -0.150237D+02  0.320945D+01 -0.772953D+01 -0.261202D+02
      2  -0.411852D+01  0.348995D+01 -0.362810D+01 -0.430968D+00  0.173093D+02
      3   0.514664D+01  0.115337D+02  0.418647D+00  0.816050D+01  0.881085D+01
      4   0.175456D+01  0.348638D+01 -0.131031D+02  0.226882D+02  0.119650D+02
      5   0.220339D+01  0.938759D+01 -0.443169D+02  0.102049D+02  0.233603D+02
      6   0.617693D+01 -0.566219D+01  0.107487D+02 -0.580808D+01 -0.366731D+01
                31            32            33            34            35 
      1  -0.441978D+01  0.138819D+02  0.700825D+01 -0.458795D+02  0.144213D+02
      2  -0.151319D+02  0.141438D+02 -0.166085D+01  0.327854D+02 -0.141688D+02
      3   0.195516D+02 -0.280257D+02 -0.534740D+01  0.130941D+02 -0.252467D+00
      4   0.465781D+02 -0.436026D+02  0.417347D+01  0.652551D+01  0.104839D+02
      5  -0.452694D+01  0.526582D+01  0.756872D+01  0.367257D+02 -0.193445D+01
      6  -0.208689D+01 -0.883020D+01 -0.342511D+01 -0.722980D+01 -0.175203D+01
                36            37            38            39            40 
      1   0.227352D+02 -0.384476D+01 -0.981213D+01  0.531481D+01 -0.303952D+01
      2  -0.188494D+02 -0.502218D+01  0.142818D+02 -0.993349D+01  0.547655D+01
      3  -0.388577D+01  0.886694D+01 -0.446966D+01  0.461868D+01 -0.243703D+01
      4  -0.570251D+00 -0.483217D+01 -0.629517D+01 -0.224562D+01 -0.128049D+01
      5  -0.166561D+02  0.214273D+02 -0.671582D+01  0.124120D+02 -0.530784D+00
      6  -0.727490D+01 -0.140593D+02 -0.177327D+01 -0.217978D+01 -0.325683D+01
                41            42            43            44            45 
      1   0.371580D+01  0.449315D+01 -0.520113D+01  0.554120D+00  0.170542D+02
      2  -0.187077D+02  0.547314D+01 -0.225217D+01 -0.530729D+01  0.114541D+02
      3   0.149919D+02 -0.996629D+01  0.745330D+01  0.475317D+01 -0.285083D+02
      4   0.216380D+02 -0.419610D+01 -0.883378D+01  0.199425D+01 -0.147227D+01
      5  -0.356637D+01 -0.205901D+01  0.148088D+02 -0.385096D+01 -0.339663D+01
      6   0.340197D+01  0.421259D+01 -0.675304D+01  0.658251D+01 -0.193541D+01
                46            47            48            49            50 
      1  -0.292227D+02 -0.841996D+01  0.118566D+02 -0.216660D+02 -0.150065D+02
      2   0.111368D+02 -0.502560D+01 -0.870614D+01  0.693745D+01  0.350943D+01
      3   0.180859D+02  0.134456D+02 -0.315043D+01  0.147286D+02  0.114971D+02
      4  -0.252904D+02 -0.250268D+02  0.685062D+01 -0.226269D+02 -0.328963D+02
      5   0.314738D+02  0.107063D+02 -0.182272D+02  0.145281D+02  0.611958D+01
      6   0.748221D+01  0.276464D+01 -0.441720D+01  0.688812D+01  0.428159D+01
                51            52            53            54            55 
      1   0.200918D+01  0.177439D+02  0.102866D+01 -0.150241D+02  0.320854D+01
      2  -0.521780D+01 -0.741670D+01  0.411817D+01  0.348985D+01 -0.362753D+01
      3   0.320861D+01 -0.103272D+02 -0.514683D+01  0.115343D+02  0.418989D+00
      4  -0.447481D+00  0.194546D+02  0.175447D+01 -0.348687D+01  0.131023D+02
      5  -0.913302D+01 -0.677661D+01 -0.220377D+01  0.938787D+01 -0.443163D+02
      6   0.461582D+01 -0.676325D+01  0.617717D+01  0.566226D+01 -0.107487D+02
                56            57            58            59            60 
      1   0.772917D+01 -0.261197D+02  0.441927D+01  0.138820D+02 -0.700900D+01
      2   0.431158D+00  0.173089D+02  0.151319D+02  0.141435D+02  0.166177D+01
      3  -0.816033D+01  0.881072D+01 -0.195512D+02 -0.280255D+02  0.534723D+01
      4   0.226881D+02 -0.119655D+02  0.465774D+02  0.436023D+02  0.417377D+01
      5  -0.102053D+02  0.233603D+02  0.452641D+01  0.526615D+01 -0.756800D+01
      6  -0.580828D+01  0.366771D+01 -0.208657D+01  0.883100D+01 -0.342513D+01
                61            62            63            64            65 
      1  -0.458790D+02 -0.144221D+02  0.227353D+02  0.381317D+01  0.186084D+01
      2   0.327851D+02  0.141697D+02 -0.188497D+02  0.351374D+01 -0.870133D+01
      3   0.130939D+02  0.252343D+00 -0.388563D+01 -0.732691D+01  0.684049D+01
      4  -0.652624D+01  0.104839D+02  0.571309D+00 -0.101891D+02  0.171125D+02
      5   0.367262D+02  0.193547D+01 -0.166570D+02  0.915429D+00 -0.456676D+01
      6   0.723040D+01 -0.175172D+01  0.727436D+01 -0.139394D+01  0.510711D+01
                66            67            68            69            70 
      1  -0.183128D+01  0.100184D+01 -0.213271D+02  0.575845D+01 -0.188578D+01
      2   0.253466D+01 -0.886018D+01  0.410039D+02 -0.531176D+01  0.177981D+00
      3  -0.703378D+00  0.785834D+01 -0.196768D+02 -0.446693D+00  0.170780D+01
      4  -0.377351D+01  0.159993D+02 -0.344497D+02  0.755328D+01  0.162736D+01
      5   0.398322D+01 -0.487927D+01  0.923525D+01 -0.536371D+01  0.761245D+00
      6  -0.249121D+01  0.692935D+01 -0.171749D+02  0.951450D+01 -0.137448D+01
                71            72            73            74            75 
      1   0.634324D+00 -0.486601D+01 -0.492510D+00  0.254548D+00  0.428154D+01
      2   0.509011D+01  0.996425D+00 -0.206300D+01 -0.632147D+00  0.108298D+01
      3  -0.572443D+01  0.386959D+01  0.255551D+01  0.377599D+00 -0.536452D+01
      4  -0.207343D+01 -0.420473D+01  0.872247D+00  0.313687D+01 -0.172930D+01
      5  -0.371456D+01  0.269159D+01 -0.489286D+00 -0.797984D+00  0.543474D+01
      6   0.529864D+01 -0.268208D+01  0.105311D+01 -0.194469D+00  0.118067D+01
                76            77            78            79            80 
      1   0.216006D+01 -0.435003D+01 -0.380426D+01  0.140052D+01  0.692107D+01
      2  -0.197624D+01  0.277656D+01 -0.630220D+01 -0.242800D+01 -0.456083D+00
      3  -0.183823D+00  0.157347D+01  0.101065D+02  0.102749D+01 -0.646499D+01
      4   0.237315D+01 -0.241293D+01  0.313555D+01 -0.152430D+00  0.447372D+01
      5   0.225802D+01  0.295151D+01  0.276985D+01  0.645629D+01 -0.372833D+01
      6   0.146905D+01 -0.124007D+01  0.568750D+01 -0.886295D+00  0.802544D+01
                81            82            83            84            85 
      1  -0.318877D+02  0.381312D+01 -0.186085D+01 -0.183134D+01 -0.100180D+01
      2  -0.217957D+02  0.351365D+01  0.870098D+01  0.253475D+01  0.885976D+01
      3   0.536834D+02 -0.732677D+01 -0.684014D+01 -0.703405D+00 -0.785796D+01
      4  -0.316201D+01  0.101889D+02  0.171121D+02  0.377375D+01  0.159991D+02
      5   0.196926D+02  0.915579D+00  0.456699D+01  0.398337D+01  0.487963D+01
      6  -0.124764D+02  0.139415D+01  0.510738D+01  0.249139D+01  0.692968D+01
                86            87            88            89            90 
      1  -0.213271D+02 -0.575886D+01 -0.188583D+01 -0.634677D+00 -0.486613D+01
      2   0.410032D+02  0.531223D+01  0.178145D+00 -0.508942D+01  0.996339D+00
      3  -0.196761D+02  0.446629D+00  0.170769D+01  0.572409D+01  0.386979D+01
      4   0.344491D+02  0.755379D+01 -0.162705D+01 -0.207281D+01  0.420473D+01
      5   0.923577D+01  0.536401D+01  0.761285D+00  0.371461D+01  0.269182D+01
      6   0.171761D+02  0.951498D+01  0.137458D+01  0.529869D+01  0.268232D+01
                91            92            93            94            95 
      1  -0.492469D+00 -0.254730D+00  0.428143D+01 -0.216010D+01 -0.434991D+01
      2  -0.206292D+01  0.632128D+00  0.108306D+01  0.197622D+01  0.277631D+01
      3   0.255539D+01 -0.377398D+00 -0.536449D+01  0.183878D+00  0.157360D+01
      4  -0.872274D+00  0.313678D+01  0.172920D+01  0.237314D+01  0.241260D+01
      5  -0.489333D+00  0.797891D+00  0.543471D+01 -0.225818D+01  0.295150D+01
      6  -0.105329D+01 -0.194391D+00 -0.118050D+01  0.146910D+01  0.123967D+01
                96            97            98            99           100 
      1   0.380507D+01  0.140048D+01 -0.692023D+01 -0.318875D+02  0.819895D+01
      2   0.630254D+01 -0.242794D+01  0.456405D+00 -0.217960D+02 -0.202008D+01
      3  -0.101076D+02  0.102746D+01  0.646382D+01  0.536834D+02 -0.617887D+01
      4   0.313555D+01  0.152292D+00  0.447357D+01  0.316159D+01 -0.687320D+01
      5  -0.277024D+01  0.645615D+01  0.372790D+01  0.196924D+02 -0.105441D+01
      6   0.568754D+01  0.886232D+00  0.802491D+01  0.124747D+02  0.161829D+01
               101           102           103           104           105 
      1  -0.826604D+01 -0.555109D+01 -0.433969D+01 -0.112195D+02 -0.874859D+01
      2   0.410225D+01  0.132890D+01  0.351832D+01  0.109406D+02  0.465754D+01
      3   0.416379D+01  0.422219D+01  0.821372D+00  0.278965D+00  0.409105D+01
      4   0.376608D+01  0.823953D+00  0.954694D+01 -0.141872D+02 -0.122408D+02
      5   0.198399D+00 -0.996109D+00  0.900525D+01 -0.128830D+02 -0.157664D+02
      6   0.273906D+01  0.311481D+01 -0.541563D+01  0.159517D+02  0.155632D+02
               106           107           108           109           110 
      1   0.155902D+01 -0.125803D+02 -0.153834D+02  0.821806D+02 -0.119122D+02
      2  -0.302927D+01  0.112791D+02  0.415339D+01 -0.376230D+02  0.299357D+01
      3   0.147024D+01  0.130119D+01  0.112300D+02 -0.445576D+02  0.891863D+01
      4   0.778531D+01 -0.166471D+02 -0.126690D+02 -0.296414D+02  0.159415D+02
      5   0.647291D+01 -0.132766D+02 -0.174518D+02  0.919169D+01 -0.168767D+01
      6  -0.567871D+01  0.169174D+02  0.182776D+02 -0.649970D+01  0.105673D+01
               111           112           113           114           115 
      1   0.864153D+01 -0.442408D+01  0.575234D+01  0.289950D+01  0.278362D+02
      2  -0.391472D+01  0.106425D+01 -0.164294D+01 -0.132862D+01 -0.156509D+02
      3  -0.472681D+01  0.335983D+01 -0.410939D+01 -0.157088D+01 -0.121853D+02
      4  -0.266786D+01  0.987427D+01 -0.260694D+01 -0.164194D+01 -0.277246D+01
      5   0.952155D+01  0.727353D+01 -0.227359D+01 -0.290889D+01  0.107000D+02
      6  -0.339928D+01 -0.135274D+01  0.174007D+01  0.247611D+01 -0.435939D+01
               116           117           118           119           120 
      1  -0.245052D+01  0.519309D+01  0.821804D+02  0.119126D+02  0.864157D+01
      2   0.153296D+01 -0.374977D+01 -0.376229D+02 -0.299365D+01 -0.391477D+01
      3   0.917564D+00 -0.144332D+01 -0.445575D+02 -0.891892D+01 -0.472680D+01
      4  -0.109103D+01 -0.457667D+01  0.296423D+02  0.159419D+02  0.266806D+01
      5  -0.301496D+01  0.612819D+01  0.919193D+01  0.168785D+01  0.952151D+01
      6   0.274571D+01 -0.850468D+00  0.649983D+01  0.105683D+01  0.339931D+01
               121           122           123           124           125 
      1   0.442468D+01  0.575254D+01 -0.289936D+01  0.278360D+02  0.245079D+01
      2  -0.106436D+01 -0.164289D+01  0.132852D+01 -0.156509D+02 -0.153314D+01
      3  -0.336032D+01 -0.410966D+01  0.157084D+01 -0.121851D+02 -0.917651D+00
      4   0.987497D+01  0.260753D+01 -0.164203D+01  0.277288D+01 -0.109102D+01
      5  -0.727339D+01 -0.227369D+01  0.290894D+01  0.106998D+02  0.301487D+01
      6  -0.135273D+01 -0.174012D+01  0.247613D+01  0.435931D+01  0.274571D+01
               126           127           128           129           130 
      1   0.519290D+01  0.819867D+01  0.826634D+01 -0.555118D+01  0.433965D+01
      2  -0.374964D+01 -0.201988D+01 -0.410255D+01  0.132900D+01 -0.351804D+01
      3  -0.144326D+01 -0.617878D+01 -0.416379D+01  0.422218D+01 -0.821607D+00
      4   0.457662D+01  0.687300D+01  0.376590D+01 -0.823695D+00  0.954708D+01
      5   0.612830D+01 -0.105415D+01 -0.198116D+00 -0.996427D+00 -0.900486D+01
      6   0.850524D+00 -0.161815D+01  0.273940D+01 -0.311512D+01 -0.541560D+01
               131           132           133           134           135 
      1  -0.112201D+02  0.874889D+01  0.155898D+01  0.125806D+02 -0.153833D+02
      2   0.109415D+02 -0.465809D+01 -0.302947D+01 -0.112797D+02  0.415396D+01
      3   0.278608D+00 -0.409081D+01  0.147048D+01 -0.130089D+01  0.112293D+02
      4   0.141877D+02 -0.122408D+02 -0.778495D+01 -0.166470D+02  0.126685D+02
      5  -0.128830D+02  0.157660D+02  0.647224D+01  0.132761D+02 -0.174506D+02
      6  -0.159521D+02  0.155632D+02  0.567831D+01  0.169173D+02 -0.182771D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 17:40:55 2021, MaxMem= 10737418240 cpu:            4099.0 elap:             256.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.32606 -10.32055 -10.32054 -10.31360 -10.31359
 Alpha  occ. eigenvalues --  -10.29652 -10.29651  -0.99846  -0.92051  -0.81634
 Alpha  occ. eigenvalues --   -0.80805  -0.68025  -0.65580  -0.58484  -0.56768
 Alpha  occ. eigenvalues --   -0.54751  -0.54567  -0.53006  -0.52280  -0.44431
 Alpha  occ. eigenvalues --   -0.40317  -0.40078  -0.36373  -0.33946  -0.33291
 Alpha virt. eigenvalues --    0.05978   0.06563   0.08779   0.11546   0.11807
 Alpha virt. eigenvalues --    0.11925   0.15026   0.15155   0.16306   0.18239
 Alpha virt. eigenvalues --    0.18678   0.19188   0.19948   0.21374   0.23665
 Alpha virt. eigenvalues --    0.23781   0.24405   0.24949   0.25250   0.25920
 Alpha virt. eigenvalues --    0.26753   0.27579   0.27660   0.28628   0.30793
 Alpha virt. eigenvalues --    0.33338   0.34564   0.34638   0.34984   0.35599
 Alpha virt. eigenvalues --    0.35878   0.36648   0.37371   0.39740   0.39756
 Alpha virt. eigenvalues --    0.40161   0.41606   0.41881   0.42353   0.42455
 Alpha virt. eigenvalues --    0.42995   0.44309   0.45042   0.45886   0.46665
 Alpha virt. eigenvalues --    0.46789   0.46920   0.47238   0.48207   0.48330
 Alpha virt. eigenvalues --    0.48401   0.49004   0.50103   0.50180   0.50598
 Alpha virt. eigenvalues --    0.51699   0.52850   0.53189   0.53841   0.54428
 Alpha virt. eigenvalues --    0.55201   0.56400   0.56693   0.58040   0.58226
 Alpha virt. eigenvalues --    0.58937   0.59784   0.61144   0.62357   0.63474
 Alpha virt. eigenvalues --    0.64813   0.64990   0.66051   0.66559   0.68226
 Alpha virt. eigenvalues --    0.68871   0.72757   0.74343   0.74430   0.76156
 Alpha virt. eigenvalues --    0.77285   0.80426   0.81599   0.85456   0.95709
 Alpha virt. eigenvalues --    0.98480   0.99726   1.00320   1.01761   1.03051
 Alpha virt. eigenvalues --    1.04971   1.06221   1.07095   1.07947   1.09072
 Alpha virt. eigenvalues --    1.09808   1.10800   1.11132   1.12888   1.14740
 Alpha virt. eigenvalues --    1.15693   1.16340   1.17487   1.19718   1.21166
 Alpha virt. eigenvalues --    1.22500   1.22568   1.24270   1.27258   1.28379
 Alpha virt. eigenvalues --    1.28682   1.30382   1.37739   1.40724   1.42398
 Alpha virt. eigenvalues --    1.42690   1.45108   1.50112   1.54237   1.59743
 Alpha virt. eigenvalues --    1.61786   1.63539   1.63601   1.68486   1.75814
 Alpha virt. eigenvalues --    1.79102   1.80033   1.82996   1.83295   1.85317
 Alpha virt. eigenvalues --    1.87727   1.89508   1.92501   1.94119   1.95725
 Alpha virt. eigenvalues --    1.96068   1.98741   2.01400   2.01454   2.05616
 Alpha virt. eigenvalues --    2.06573   2.08561   2.12437   2.12939   2.19898
 Alpha virt. eigenvalues --    2.22888   2.26306   2.27317   2.28188   2.32650
 Alpha virt. eigenvalues --    2.35996   2.36079   2.39039   2.39589   2.44433
 Alpha virt. eigenvalues --    2.46530   2.48788   2.52278   2.55180   2.57816
 Alpha virt. eigenvalues --    2.62436   2.67543   2.67763   2.69529   2.72423
 Alpha virt. eigenvalues --    2.74906   2.94711   3.00533   3.00875   3.07989
 Alpha virt. eigenvalues --    3.09619   3.14369   3.14897   3.20255   3.22147
 Alpha virt. eigenvalues --    3.26284   3.43079   3.49947   3.55299
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.111612   0.190407  -0.222372  -0.157479  -0.051219  -0.019178
     2  C    0.190407   6.893812  -0.364335  -0.201259   0.190396  -0.364310
     3  C   -0.222372  -0.364335   6.621613   0.540405  -0.019179  -0.105242
     4  C   -0.157479  -0.201259   0.540405   5.594572  -0.001379  -0.029274
     5  C   -0.051219   0.190396  -0.019179  -0.001379   5.111637  -0.222385
     6  C   -0.019178  -0.364310  -0.105242  -0.029274  -0.222385   6.621605
     7  C   -0.001380  -0.201255  -0.029274  -0.008415  -0.157476   0.540398
     8  H   -0.052726  -0.020639   0.021380  -0.003940   0.201421   0.099774
     9  H    0.029401   0.037257  -0.050588   0.007264   0.282831  -0.013480
    10  H    0.201421  -0.020638   0.099774   0.015820  -0.052727   0.021379
    11  H    0.282827   0.037254  -0.013477   0.004856   0.029402  -0.050588
    12  H    0.030010   0.046902  -0.175294   0.288189   0.005058   0.001267
    13  H   -0.039796  -0.017314   0.034782   0.226932  -0.000411  -0.001474
    14  H   -0.000411  -0.017314  -0.001474  -0.000269  -0.039795   0.034786
    15  H    0.005058   0.046899   0.001267   0.000255   0.030011  -0.175297
               7          8          9         10         11         12
     1  C   -0.001380  -0.052726   0.029401   0.201421   0.282827   0.030010
     2  C   -0.201255  -0.020639   0.037257  -0.020638   0.037254   0.046902
     3  C   -0.029274   0.021380  -0.050588   0.099774  -0.013477  -0.175294
     4  C   -0.008415  -0.003940   0.007264   0.015820   0.004856   0.288189
     5  C   -0.157476   0.201421   0.282831  -0.052727   0.029402   0.005058
     6  C    0.540398   0.099774  -0.013480   0.021379  -0.050588   0.001267
     7  C    5.594572   0.015819   0.004856  -0.003941   0.007264   0.000255
     8  H    0.015819   1.065922  -0.194415   0.024763  -0.002636  -0.001543
     9  H    0.004856  -0.194415   1.042591  -0.002636  -0.001143   0.002518
    10  H   -0.003941   0.024763  -0.002636   1.065928  -0.194418  -0.005376
    11  H    0.007264  -0.002636  -0.001143  -0.194418   1.042602  -0.003756
    12  H    0.000255  -0.001543   0.002518  -0.005376  -0.003756   0.747551
    13  H   -0.000269   0.000463  -0.000544   0.009445   0.004666  -0.099238
    14  H    0.226925   0.009445   0.004666   0.000463  -0.000544  -0.000137
    15  H    0.288196  -0.005377  -0.003755  -0.001543   0.002518   0.000395
              13         14         15
     1  C   -0.039796  -0.000411   0.005058
     2  C   -0.017314  -0.017314   0.046899
     3  C    0.034782  -0.001474   0.001267
     4  C    0.226932  -0.000269   0.000255
     5  C   -0.000411  -0.039795   0.030011
     6  C   -0.001474   0.034786  -0.175297
     7  C   -0.000269   0.226925   0.288196
     8  H    0.000463   0.009445  -0.005377
     9  H   -0.000544   0.004666  -0.003755
    10  H    0.009445   0.000463  -0.001543
    11  H    0.004666  -0.000544   0.002518
    12  H   -0.099238  -0.000137   0.000395
    13  H    0.705160   0.000025  -0.000137
    14  H    0.000025   0.705159  -0.099240
    15  H   -0.000137  -0.099240   0.747558
 Mulliken charges:
               1
     1  C    0.693826
     2  C   -0.235863
     3  C   -0.337986
     4  C   -0.276276
     5  C    0.693815
     6  C   -0.337981
     7  C   -0.276278
     8  H   -0.157712
     9  H   -0.144821
    10  H   -0.157714
    11  H   -0.144827
    12  H    0.163199
    13  H    0.177710
    14  H    0.177715
    15  H    0.163193
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.391285
     2  C   -0.235863
     3  C   -0.337986
     4  C    0.064633
     5  C    0.391282
     6  C   -0.337981
     7  C    0.064631
 Electronic spatial extent (au):  <R**2>=            789.1545
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=              0.4679    Z=             -0.0000  Tot=              0.4679
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -41.5077   YY=            -41.3116   ZZ=            -41.0503
   XY=             -0.0000   XZ=              0.9085   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.2178   YY=             -0.0217   ZZ=              0.2396
   XY=             -0.0000   XZ=              0.9085   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              5.7106  ZZZ=             -0.0001  XYY=             -0.0002
  XXY=             -4.4807  XXZ=             -0.0001  XZZ=              0.0001  YZZ=             -1.2530
  YYZ=              0.0001  XYZ=              4.9387
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -664.6672 YYYY=           -219.6376 ZZZZ=           -166.7045 XXXY=              0.0001
 XXXZ=              7.9653 YYYX=              0.0001 YYYZ=             -0.0000 ZZZX=              4.8841
 ZZZY=             -0.0002 XXYY=           -148.5462 XXZZ=           -153.9225 YYZZ=            -64.6565
 XXYZ=              0.0002 YYXZ=             -4.0759 ZZXY=             -0.0002
 N-N= 2.623815335850D+02 E-N=-1.150685839892D+03  KE= 2.678432257792D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 17:40:56 2021, MaxMem= 10737418240 cpu:               3.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.62471630D-06 1.91961644D-01-8.48895690D-07
 Polarizability= 1.09552914D+02-6.86951035D-06 7.64921559D+01
                -3.63271180D+00-1.75299518D-05 6.98519726D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.3381    2.3395       -0.0000   -0.0000
 2     -2.3381   -2.3395        0.0000    0.0000      -17.5462  -17.5616
 3      0.0000    0.0000       21.2206   21.2315       -0.0000   -0.0000
 4     -0.0000   -0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -3.6744   -3.6699       -0.0000   -0.0000        2.3351    2.3395
 6      0.0000    0.0000       -2.3351   -2.3395       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -7.0186   -7.0186       -0.0000   -0.0000
 2     -0.0000   -0.0000        0.0000    0.0000       -0.0000   -0.0000
 3     -0.0000   -0.0000       -7.0186   -7.0186        0.0000    0.0000
 4     -7.0186   -7.0186        0.0000    0.0000      -52.6847  -52.6847
 5      0.0000    0.0000       63.6944   63.6944       -0.0000   -0.0000
 6    -11.0097  -11.0097       -0.0000   -0.0000        7.0186    7.0186
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -9.1201   -9.3581        0.0000    0.0000
 2      9.1165    9.3581       -0.0000   -0.0000       70.3586   70.2463
 3     -0.0000   -0.0000      -84.5272  -84.9258       -0.0000    0.0000
 4      0.0000    0.0000        0.0355    0.0000        0.0000   -0.0000
 5     14.5968   14.6795        0.0000    0.0000       -9.3072   -9.3581
 6     -0.0000   -0.0000        9.3126    9.3581       -0.0000    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       38.6512   38.3912        0.0001    0.0001
 2    -38.7744  -38.3912        0.0007    0.0007      -50.0527  -50.3400
 3     -0.0000   -0.0001      -22.2371  -22.2927       -0.0006   -0.0007
 4     -0.0007   -0.0007       -0.1850    0.0000       -0.0000   -0.0001
 5     72.4710   72.6327        0.0000    0.0001       38.4567   38.3912
 6      0.0007    0.0007      -38.2256  -38.3912       -0.0001    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0020   -0.0020      114.0493  113.6921       -0.0008   -0.0008
 2     -0.0026   -0.0026      126.5531  126.6123       -0.0008   -0.0008
 3     -0.0026   -0.0026      113.3962  113.6921       -0.0011   -0.0011
 4    -12.3920  -12.9203        0.0006    0.0006      -37.8077  -37.8290
 5     -0.0003   -0.0003      -43.7829  -43.8857       -0.0007   -0.0006
 6     81.6288   81.7147        0.0003    0.0003       12.8239   12.9203
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.2578   -2.8865   -1.2882   -0.0007   -0.0003    0.0003
 Low frequencies ---  103.5098  177.3399  191.7342
 Diagonal vibrational polarizability:
        3.3186450       2.9187434       2.9466550
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    103.5098               177.3398               191.7342
 Red. masses --      3.2676                 2.6780                 2.5912
 Frc consts  --      0.0206                 0.0496                 0.0561
 IR Inten    --      0.1129                 0.3538                 0.0313
 RamAct Fr= 1--     12.9352                 4.5514                 7.9521
  Dep-P Fr= 1--      0.7362                 0.7500                 0.6346
  Dep-U Fr= 1--      0.8481                 0.8571                 0.7765
 Alpha2 Fr= 1--      0.0030                 0.0000                 0.0166
 Beta2  Fr= 1--      1.8284                 0.6502                 1.0291
 AlphaG Fr= 1--     -0.0050                -0.0000                 0.0146
 Gamma2 Fr= 1--      2.6834                -2.6689                 0.0848
 Delta2 Fr= 1--     -1.2052                 1.0936                 0.3425
 Raman1 Fr= 1--      51.741                 18.206                 31.808
 ROA1   Fr= 1--     219.042               -221.219                 19.102
 CID1   Fr= 1--       4.233                -12.151                  0.601
 Raman2 Fr= 1--      21.940                  7.802                 12.349
 ROA2   Fr= 1--      74.044                -72.803                 -0.704
 CID2   Fr= 1--       3.375                 -9.331                 -0.057
 Raman3 Fr= 1--      43.880                 15.605                 24.698
 ROA3   Fr= 1--     219.042               -221.219                 19.102
 CID3   Fr= 1--       4.992                -14.176                  0.773
 RC180  Fr= 1--       0.696                  0.714                  0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.11   0.06     0.11   0.12   0.01     0.05   0.05  -0.15
     2   6     0.00  -0.12  -0.00    -0.01  -0.00   0.18     0.00  -0.12  -0.00
     3   6     0.03  -0.04   0.02    -0.00   0.03   0.07     0.06  -0.01  -0.07
     4   6     0.17   0.19  -0.10    -0.10   0.03  -0.12     0.15  -0.01   0.09
     5   6     0.06  -0.11  -0.06     0.11  -0.12   0.01    -0.05   0.05   0.15
     6   6    -0.03  -0.04  -0.02    -0.00  -0.03   0.07    -0.06  -0.01   0.07
     7   6    -0.17   0.19   0.10    -0.10  -0.03  -0.12    -0.15  -0.01  -0.09
     8   1     0.10  -0.09  -0.15     0.06  -0.12  -0.15     0.10   0.09   0.31
     9   1     0.11  -0.19  -0.03     0.27  -0.22   0.05    -0.23   0.15   0.10
    10   1    -0.10  -0.09   0.15     0.06   0.12  -0.15    -0.10   0.09  -0.31
    11   1    -0.11  -0.19   0.03     0.27   0.22   0.05     0.23   0.15  -0.10
    12   1     0.27   0.24  -0.18    -0.32  -0.02  -0.03     0.25  -0.20   0.23
    13   1     0.17   0.32  -0.12     0.00   0.06  -0.39     0.14   0.21   0.11
    14   1    -0.17   0.32   0.12     0.00  -0.06  -0.39    -0.14   0.21  -0.11
    15   1    -0.27   0.24   0.18    -0.32   0.02  -0.03    -0.25  -0.20  -0.23
                      4                      5                      6
                      A                      A                      A
 Frequencies --    320.2068               381.5308               410.9306
 Red. masses --      3.0696                 2.3660                 2.2277
 Frc consts  --      0.1854                 0.2029                 0.2216
 IR Inten    --      3.9930                 0.3955                 1.1010
 RamAct Fr= 1--      1.4279                 4.3419                 1.1448
  Dep-P Fr= 1--      0.7500                 0.6595                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7948                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0070                 0.0000
 Beta2  Fr= 1--      0.2040                 0.5752                 0.1635
 AlphaG Fr= 1--      0.0000                 0.0554                 0.0000
 Gamma2 Fr= 1--     -1.5071                 2.4867                 1.2693
 Delta2 Fr= 1--     -0.6143                -0.1138                 1.4943
 Raman1 Fr= 1--       5.712                 17.367                  4.579
 ROA1   Fr= 1--    -164.336                235.080                169.669
 CID1   Fr= 1--     -28.772                 13.536                 37.054
 Raman2 Fr= 1--       2.448                  6.902                  1.962
 ROA2   Fr= 1--     -31.255                 60.591                 18.508
 CID2   Fr= 1--     -12.768                  8.779                  9.431
 Raman3 Fr= 1--       4.896                 13.804                  3.925
 ROA3   Fr= 1--    -164.336                235.080                169.669
 CID3   Fr= 1--     -33.567                 17.030                 43.229
 RC180  Fr= 1--       0.714                  0.590                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.05     0.16  -0.08   0.04     0.09  -0.05  -0.02
     2   6     0.03  -0.00  -0.00     0.00   0.18  -0.00    -0.10   0.00   0.14
     3   6     0.11   0.22  -0.12    -0.04  -0.00  -0.08    -0.10   0.01  -0.13
     4   6    -0.07  -0.08   0.03     0.05   0.01   0.05     0.01   0.02   0.05
     5   6    -0.02  -0.02   0.05    -0.16  -0.08  -0.04     0.09   0.05  -0.02
     6   6     0.11  -0.22  -0.12     0.04  -0.00   0.08    -0.10  -0.01  -0.13
     7   6    -0.07   0.08   0.03    -0.05   0.01  -0.05     0.01  -0.02   0.05
     8   1    -0.30  -0.14   0.20    -0.38  -0.14  -0.18    -0.02   0.01  -0.03
     9   1     0.16   0.21   0.02    -0.10  -0.20   0.00     0.40   0.15  -0.01
    10   1    -0.30   0.14   0.20     0.38  -0.14   0.18    -0.02  -0.01  -0.03
    11   1     0.16  -0.21   0.02     0.10  -0.20  -0.00     0.40  -0.15  -0.01
    12   1    -0.26  -0.13   0.13     0.29   0.05  -0.04     0.21  -0.22   0.20
    13   1    -0.07  -0.28   0.02    -0.06   0.03   0.32    -0.01   0.33   0.13
    14   1    -0.07   0.28   0.02     0.06   0.03  -0.32    -0.01  -0.33   0.13
    15   1    -0.26   0.13   0.13    -0.29   0.05   0.04     0.21   0.22   0.20
                      7                      8                      9
                      A                      A                      A
 Frequencies --    477.2842               624.2865               663.4059
 Red. masses --      1.9879                 3.2353                 1.2181
 Frc consts  --      0.2668                 0.7429                 0.3159
 IR Inten    --      5.3481                 0.1609                 0.0141
 RamAct Fr= 1--      3.3983                23.7017                 2.8045
  Dep-P Fr= 1--      0.7249                 0.1988                 0.7500
  Dep-U Fr= 1--      0.8405                 0.3316                 0.8571
 Alpha2 Fr= 1--      0.0015                 0.3229                 0.0000
 Beta2  Fr= 1--      0.4761                 1.3099                 0.4006
 AlphaG Fr= 1--      0.0377                -0.3740                -0.0000
 Gamma2 Fr= 1--      0.8509                -0.2048                -2.9185
 Delta2 Fr= 1--     -0.9124                -0.0372                -0.0913
 Raman1 Fr= 1--      13.593                 94.807                 11.218
 ROA1   Fr= 1--      52.491                -20.855               -283.096
 CID1   Fr= 1--       3.862                 -0.220                -25.236
 Raman2 Fr= 1--       5.713                 15.719                  4.808
 ROA2   Fr= 1--      27.722                 -4.619                -69.314
 CID2   Fr= 1--       4.853                 -0.294                -14.417
 Raman3 Fr= 1--      11.425                 31.438                  9.615
 ROA3   Fr= 1--      52.491                -20.855               -283.096
 CID3   Fr= 1--       4.594                 -0.663                -29.442
 RC180  Fr= 1--       0.681                 -0.337                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.04   0.03     0.19   0.00   0.09     0.06  -0.00   0.01
     2   6     0.00  -0.04  -0.00    -0.00  -0.07  -0.00    -0.00   0.00  -0.02
     3   6     0.06   0.14  -0.12     0.16   0.05   0.15    -0.03   0.04  -0.02
     4   6    -0.01  -0.03   0.02     0.05  -0.01   0.01    -0.04   0.03   0.02
     5   6     0.04  -0.04  -0.03    -0.19   0.00  -0.09     0.06   0.00   0.01
     6   6    -0.06   0.14   0.12    -0.16   0.05  -0.15    -0.03  -0.04  -0.02
     7   6     0.01  -0.03  -0.02    -0.05  -0.01  -0.01    -0.04  -0.03   0.02
     8   1     0.25   0.08  -0.35    -0.16   0.02  -0.10     0.12   0.05  -0.17
     9   1    -0.03  -0.40   0.05    -0.29  -0.00  -0.10     0.11  -0.16   0.06
    10   1    -0.25   0.08   0.35     0.16   0.02   0.10     0.12  -0.05  -0.17
    11   1     0.03  -0.40  -0.05     0.29  -0.00   0.10     0.11   0.16   0.06
    12   1    -0.10  -0.22   0.20    -0.31   0.01   0.09     0.10   0.32  -0.26
    13   1     0.02   0.02  -0.06     0.19  -0.14  -0.33    -0.18  -0.27   0.35
    14   1    -0.02   0.02   0.06    -0.19  -0.14   0.33    -0.18   0.27   0.35
    15   1     0.10  -0.22  -0.20     0.31   0.01  -0.09     0.10  -0.32  -0.26
                     10                     11                     12
                      A                      A                      A
 Frequencies --    695.2540               748.3975               809.3384
 Red. masses --      1.6937                 2.2081                 1.8702
 Frc consts  --      0.4824                 0.7287                 0.7218
 IR Inten    --      0.2411                 4.5576                 2.5587
 RamAct Fr= 1--      7.3728                17.5175                13.6753
  Dep-P Fr= 1--      0.3761                 0.7500                 0.4769
  Dep-U Fr= 1--      0.5466                 0.8571                 0.6458
 Alpha2 Fr= 1--      0.0594                 0.0000                 0.0749
 Beta2  Fr= 1--      0.6717                 2.5025                 1.4719
 AlphaG Fr= 1--      0.5082                -0.0000                -0.9260
 Gamma2 Fr= 1--     -1.7324                 6.5579                -6.2174
 Delta2 Fr= 1--     -2.0822                -3.1164                 5.3446
 Raman1 Fr= 1--      29.491                 70.070                 54.701
 ROA1   Fr= 1--    -232.936                529.835               -425.846
 CID1   Fr= 1--      -7.899                  7.562                 -7.785
 Raman2 Fr= 1--       8.060                 30.030                 17.663
 ROA2   Fr= 1--     -24.919                182.322               -191.975
 CID2   Fr= 1--      -3.092                  6.071                -10.869
 Raman3 Fr= 1--      16.121                 60.060                 35.327
 ROA3   Fr= 1--    -232.936                529.835               -425.846
 CID3   Fr= 1--     -14.450                  8.822                -12.055
 RC180  Fr= 1--       0.093                  0.714                  0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02   0.02    -0.12   0.01   0.03    -0.04   0.05  -0.01
     2   6    -0.00  -0.06  -0.00    -0.02  -0.00   0.18     0.00   0.19   0.00
     3   6    -0.11  -0.03   0.03     0.04  -0.06  -0.04     0.03  -0.07   0.01
     4   6    -0.09   0.06   0.03     0.09  -0.08  -0.05     0.08  -0.07  -0.04
     5   6    -0.05  -0.02  -0.02    -0.12  -0.01   0.03     0.04   0.05   0.01
     6   6     0.11  -0.03  -0.03     0.04   0.06  -0.04    -0.03  -0.07  -0.01
     7   6     0.09   0.06  -0.03     0.09   0.08  -0.05    -0.08  -0.07   0.04
     8   1     0.01  -0.00  -0.01    -0.36  -0.05  -0.28    -0.17   0.01  -0.19
     9   1    -0.15  -0.08  -0.01     0.19  -0.26   0.13     0.29  -0.01   0.05
    10   1    -0.01  -0.00   0.01    -0.36   0.05  -0.28     0.17   0.01   0.19
    11   1     0.15  -0.08   0.01     0.19   0.26   0.13    -0.29  -0.01  -0.05
    12   1    -0.09  -0.24   0.29     0.20   0.02  -0.17     0.02  -0.31   0.18
    13   1     0.01   0.50  -0.20     0.04  -0.20   0.08     0.20   0.20  -0.32
    14   1    -0.01   0.50   0.20     0.04   0.20   0.08    -0.20   0.20   0.32
    15   1     0.09  -0.24  -0.29     0.20  -0.02  -0.17    -0.02  -0.31  -0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    886.0447               914.6412               915.3032
 Red. masses --      2.1963                 1.3154                 1.3121
 Frc consts  --      1.0159                 0.6483                 0.6477
 IR Inten    --     38.0224                43.4456                40.7301
 RamAct Fr= 1--      5.1165                 3.8380                14.6153
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7479
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8558
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0005
 Beta2  Fr= 1--      0.7309                 0.5483                 2.0845
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0247
 Gamma2 Fr= 1--      1.0992                 0.6458                 1.7406
 Delta2 Fr= 1--      0.6779                 0.2762                -1.5161
 Raman1 Fr= 1--      20.466                 15.352                 58.461
 ROA1   Fr= 1--     127.220                 70.837                118.578
 CID1   Fr= 1--       6.216                  4.614                  2.028
 Raman2 Fr= 1--       8.771                  6.579                 25.014
 ROA2   Fr= 1--      20.958                 13.290                 53.903
 CID2   Fr= 1--       2.389                  2.020                  2.155
 Raman3 Fr= 1--      17.542                 13.159                 50.029
 ROA3   Fr= 1--     127.220                 70.837                118.578
 CID3   Fr= 1--       7.252                  5.383                  2.370
 RC180  Fr= 1--       0.714                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.16  -0.09     0.00   0.01  -0.01     0.00   0.01  -0.00
     2   6    -0.10   0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.05   0.03   0.08     0.01   0.02  -0.02     0.01   0.02  -0.02
     4   6     0.01   0.05   0.05    -0.03  -0.08   0.08    -0.03  -0.08   0.07
     5   6    -0.01   0.16  -0.09     0.00  -0.01  -0.01    -0.00   0.01   0.00
     6   6     0.05  -0.03   0.08     0.01  -0.02  -0.02    -0.01   0.02   0.02
     7   6     0.01  -0.05   0.05    -0.03   0.08   0.08     0.03  -0.08  -0.07
     8   1    -0.21   0.13  -0.36    -0.03  -0.02   0.02     0.04   0.03  -0.03
     9   1     0.29  -0.01  -0.01     0.02   0.03  -0.02    -0.03  -0.03   0.01
    10   1    -0.21  -0.13  -0.36    -0.03   0.02   0.02    -0.04   0.03   0.03
    11   1     0.29   0.01  -0.01     0.02  -0.03  -0.02     0.03  -0.03  -0.01
    12   1    -0.30   0.12   0.08     0.14   0.37  -0.34     0.15   0.36  -0.34
    13   1     0.11  -0.11  -0.19     0.12   0.32  -0.30     0.12   0.32  -0.30
    14   1     0.11   0.11  -0.19     0.12  -0.32  -0.30    -0.12   0.32   0.30
    15   1    -0.30  -0.12   0.08     0.14  -0.37  -0.34    -0.15   0.36   0.35
                     16                     17                     18
                      A                      A                      A
 Frequencies --    949.9981              1002.4155              1025.8397
 Red. masses --      2.1793                 1.4787                 1.2819
 Frc consts  --      1.1588                 0.8755                 0.7948
 IR Inten    --      2.8694                 1.6759                 2.0820
 RamAct Fr= 1--     48.2153                 1.4199                 1.9949
  Dep-P Fr= 1--      0.0134                 0.7500                 0.7500
  Dep-U Fr= 1--      0.0265                 0.8571                 0.8571
 Alpha2 Fr= 1--      1.0383                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2132                 0.2028                 0.2850
 AlphaG Fr= 1--      0.7538                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.8989                 3.0429                 1.3901
 Delta2 Fr= 1--      1.4472                -1.5730                -0.7521
 Raman1 Fr= 1--     192.861                  5.680                  7.980
 ROA1   Fr= 1--     132.603                241.784                109.385
 CID1   Fr= 1--       0.688                 42.570                 13.708
 Raman2 Fr= 1--       2.559                  2.434                  3.420
 ROA2   Fr= 1--       9.996                 85.614                 39.379
 CID2   Fr= 1--       3.906                 35.172                 11.515
 Raman3 Fr= 1--       5.118                  4.868                  6.840
 ROA3   Fr= 1--     132.603                241.784                109.385
 CID3   Fr= 1--      25.909                 49.665                 15.993
 RC180  Fr= 1--      -0.947                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09   0.17    -0.01   0.06  -0.09    -0.09   0.02   0.02
     2   6    -0.00  -0.04  -0.00    -0.06  -0.00   0.09    -0.00  -0.00   0.02
     3   6    -0.02  -0.03  -0.04    -0.00  -0.03   0.03     0.00   0.03  -0.04
     4   6     0.02  -0.07  -0.08     0.03   0.01   0.01     0.02  -0.00   0.02
     5   6    -0.04   0.09  -0.17    -0.01  -0.06  -0.09    -0.09  -0.02   0.02
     6   6     0.02  -0.03   0.04    -0.00   0.03   0.03     0.00  -0.03  -0.04
     7   6    -0.02  -0.07   0.08     0.03  -0.01   0.01     0.02   0.00   0.02
     8   1     0.33   0.21  -0.04     0.02  -0.11   0.33     0.59   0.24  -0.05
     9   1    -0.12   0.21  -0.21     0.14   0.41  -0.20     0.21  -0.01   0.05
    10   1    -0.33   0.21   0.04     0.02   0.11   0.33     0.59  -0.24  -0.05
    11   1     0.12   0.21   0.21     0.14  -0.41  -0.20     0.21   0.01   0.05
    12   1     0.34  -0.17  -0.08    -0.04   0.18  -0.12    -0.09  -0.00   0.04
    13   1    -0.07   0.08   0.17     0.00  -0.28   0.07     0.08  -0.06  -0.12
    14   1     0.07   0.08  -0.17     0.00   0.28   0.07     0.08   0.06  -0.12
    15   1    -0.34  -0.17   0.08    -0.04  -0.18  -0.12    -0.09   0.00   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1035.6499              1058.7392              1075.3287
 Red. masses --      1.4966                 1.3384                 1.6179
 Frc consts  --      0.9458                 0.8839                 1.1023
 IR Inten    --      0.8896                 0.1480                 4.0492
 RamAct Fr= 1--      0.1634                 7.6775                 0.0859
  Dep-P Fr= 1--      0.3169                 0.5420                 0.7500
  Dep-U Fr= 1--      0.4812                 0.7030                 0.8571
 Alpha2 Fr= 1--      0.0016                 0.0307                 0.0000
 Beta2  Fr= 1--      0.0131                 0.8995                 0.0123
 AlphaG Fr= 1--     -0.0677                 0.3238                 0.0000
 Gamma2 Fr= 1--      0.5547                 1.8742                 0.9029
 Delta2 Fr= 1--     -0.0244                 3.2411                 0.2030
 Raman1 Fr= 1--       0.654                 30.710                  0.343
 ROA1   Fr= 1--      52.466                283.634                 93.172
 CID1   Fr= 1--      80.249                  9.236                271.277
 Raman2 Fr= 1--       0.157                 10.794                  0.147
 ROA2   Fr= 1--      13.508                 19.052                 20.045
 CID2   Fr= 1--      85.864                  1.765                136.179
 Raman3 Fr= 1--       0.315                 21.588                  0.294
 ROA3   Fr= 1--      52.466                283.634                 93.172
 CID3   Fr= 1--     166.757                 13.139                316.490
 RC180  Fr= 1--      -0.038                  0.406                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.08   0.07    -0.11   0.01   0.03    -0.05   0.04   0.03
     2   6    -0.00  -0.00   0.00     0.00   0.06  -0.00     0.09  -0.00  -0.16
     3   6     0.03   0.07  -0.07    -0.00  -0.01   0.00    -0.01  -0.04   0.06
     4   6    -0.00  -0.01   0.01     0.02  -0.01  -0.01    -0.03   0.00  -0.02
     5   6     0.03  -0.08  -0.07     0.11   0.01  -0.03    -0.05  -0.04   0.03
     6   6    -0.03   0.07   0.07     0.00  -0.01  -0.00    -0.01   0.04   0.06
     7   6     0.00  -0.01  -0.01    -0.02  -0.01   0.01    -0.03  -0.00  -0.02
     8   1    -0.20  -0.23   0.35    -0.18  -0.11   0.10    -0.12  -0.06  -0.01
     9   1     0.16   0.40  -0.18    -0.64  -0.12  -0.08     0.61   0.18   0.06
    10   1     0.20  -0.23  -0.35     0.18  -0.11  -0.10    -0.12   0.06  -0.01
    11   1    -0.16   0.40   0.18     0.64  -0.12   0.08     0.61  -0.18   0.06
    12   1    -0.04  -0.09   0.08     0.02  -0.02  -0.00     0.11  -0.06  -0.01
    13   1     0.04   0.11  -0.10     0.03  -0.03  -0.04    -0.07   0.14   0.08
    14   1    -0.04   0.11   0.10    -0.03  -0.03   0.04    -0.07  -0.14   0.08
    15   1     0.04  -0.09  -0.08    -0.02  -0.02   0.00     0.11   0.06  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1091.3070              1128.8599              1156.0010
 Red. masses --      1.5642                 2.0981                 2.4078
 Frc consts  --      1.0976                 1.5753                 1.8958
 IR Inten    --      1.8937                28.2433                 7.3787
 RamAct Fr= 1--      0.9129                 0.9120                 3.3585
  Dep-P Fr= 1--      0.2777                 0.7500                 0.1167
  Dep-U Fr= 1--      0.4346                 0.8571                 0.2091
 Alpha2 Fr= 1--      0.0100                 0.0000                 0.0564
 Beta2  Fr= 1--      0.0661                 0.1303                 0.1170
 AlphaG Fr= 1--      0.1662                 0.0000                 0.3913
 Gamma2 Fr= 1--     -1.1551                -0.8506                -1.4726
 Delta2 Fr= 1--      0.6918                -0.4133                -0.4992
 Raman1 Fr= 1--       3.652                  3.648                 13.434
 ROA1   Fr= 1--     -88.749                -94.883               -157.341
 CID1   Fr= 1--     -24.303                -26.010                -11.712
 Raman2 Fr= 1--       0.794                  1.563                  1.404
 ROA2   Fr= 1--     -33.257                -17.108                -31.348
 CID2   Fr= 1--     -41.906                -10.943                -22.324
 Raman3 Fr= 1--       1.587                  3.127                  2.808
 ROA3   Fr= 1--     -88.749                -94.883               -157.341
 CID3   Fr= 1--     -55.916                -30.345                -56.023
 RC180  Fr= 1--      -0.131                  0.714                 -0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07   0.01    -0.04  -0.04  -0.08    -0.00  -0.10  -0.07
     2   6     0.00   0.16   0.00    -0.04   0.00   0.09    -0.00   0.12   0.00
     3   6    -0.04  -0.03  -0.02     0.11   0.07   0.09     0.11   0.05   0.12
     4   6     0.04   0.02   0.03    -0.08  -0.03  -0.06    -0.08  -0.03  -0.06
     5   6    -0.03  -0.07  -0.01    -0.04   0.04  -0.08     0.00  -0.10   0.07
     6   6     0.04  -0.03   0.02     0.11  -0.07   0.09    -0.11   0.05  -0.12
     7   6    -0.04   0.02  -0.03    -0.08   0.03  -0.06     0.08  -0.03   0.06
     8   1     0.54   0.10   0.18     0.19   0.12  -0.01     0.26  -0.01   0.12
     9   1    -0.11   0.09  -0.06    -0.07   0.05  -0.08    -0.08   0.01   0.03
    10   1    -0.54   0.10  -0.18     0.19  -0.12  -0.01    -0.26  -0.01  -0.12
    11   1     0.11   0.09   0.06    -0.07  -0.05  -0.08     0.08   0.01  -0.03
    12   1    -0.21   0.09   0.04     0.38  -0.17  -0.06     0.34  -0.19  -0.03
    13   1     0.12  -0.15  -0.17    -0.20   0.29   0.29    -0.18   0.33   0.23
    14   1    -0.12  -0.15   0.17    -0.20  -0.29   0.29     0.18   0.33  -0.23
    15   1     0.21   0.09  -0.04     0.38   0.17  -0.06    -0.34  -0.19   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1309.2214              1444.3783              1445.4673
 Red. masses --      3.4845                 1.0925                 1.0902
 Frc consts  --      3.5190                 1.3429                 1.3421
 IR Inten    --     25.2821                 0.8215                 2.2876
 RamAct Fr= 1--      6.6449                26.3595                11.5098
  Dep-P Fr= 1--      0.7500                 0.5534                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7125                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0989                 0.0000
 Beta2  Fr= 1--      0.9493                 3.1301                 1.6443
 AlphaG Fr= 1--      0.0000                -0.0939                -0.0000
 Gamma2 Fr= 1--     -1.2042                -7.7105                 4.8832
 Delta2 Fr= 1--     -2.0956                 2.2828                 0.2175
 Raman1 Fr= 1--      26.580                105.438                 46.039
 ROA1   Fr= 1--    -182.661               -667.157                475.747
 CID1   Fr= 1--      -6.872                 -6.327                 10.334
 Raman2 Fr= 1--      11.391                 37.562                 19.731
 ROA2   Fr= 1--     -12.136               -203.313                115.457
 CID2   Fr= 1--      -1.065                 -5.413                  5.852
 Raman3 Fr= 1--      22.783                 75.123                 39.462
 ROA3   Fr= 1--    -182.661               -667.157                475.747
 CID3   Fr= 1--      -8.018                 -8.881                 12.056
 RC180  Fr= 1--       0.714                  0.425                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.03  -0.06    -0.02  -0.02  -0.03    -0.01  -0.03  -0.04
     2   6     0.37  -0.00   0.17    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
     3   6     0.01  -0.07  -0.07     0.02  -0.03  -0.02     0.01  -0.02  -0.01
     4   6    -0.07   0.07   0.05     0.01  -0.01  -0.00     0.01  -0.01  -0.00
     5   6    -0.06   0.03  -0.06     0.02  -0.02   0.03    -0.01   0.03  -0.04
     6   6     0.01   0.07  -0.07    -0.02  -0.03   0.02     0.01   0.02  -0.01
     7   6    -0.07  -0.07   0.05    -0.01  -0.01   0.00     0.01   0.01  -0.00
     8   1    -0.08   0.06  -0.19    -0.02   0.04  -0.38     0.01  -0.05   0.45
     9   1    -0.10   0.15  -0.11    -0.13   0.35  -0.10     0.15  -0.42   0.11
    10   1    -0.08  -0.06  -0.19     0.02   0.04   0.38     0.01   0.05   0.45
    11   1    -0.10  -0.15  -0.11     0.13   0.35   0.10     0.15   0.42   0.11
    12   1    -0.38   0.19   0.05    -0.31   0.11  -0.01    -0.19   0.07  -0.01
    13   1    -0.15   0.24   0.19    -0.07   0.22   0.21    -0.05   0.14   0.13
    14   1    -0.15  -0.24   0.19     0.07   0.22  -0.21    -0.05  -0.14   0.13
    15   1    -0.38  -0.19   0.05     0.31   0.11   0.01    -0.19  -0.07  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1471.7454              1489.5646              1805.3585
 Red. masses --      1.1512                 1.3790                 8.6900
 Frc consts  --      1.4691                 1.8028                16.6878
 IR Inten    --      0.4636                 3.9821                 9.4961
 RamAct Fr= 1--      9.7182                16.5918               190.0479
  Dep-P Fr= 1--      0.1039                 0.7500                 0.1144
  Dep-U Fr= 1--      0.1883                 0.8571                 0.2053
 Alpha2 Fr= 1--      0.1685                 0.0000                 3.2116
 Beta2  Fr= 1--      0.3050                 2.3703                 6.5036
 AlphaG Fr= 1--      0.0736                -0.0000                 1.1385
 Gamma2 Fr= 1--      0.3270                -0.7792               -19.4826
 Delta2 Fr= 1--      0.4003                -4.2913                 8.1643
 Raman1 Fr= 1--      38.873                 66.367                760.191
 ROA1   Fr= 1--      44.200               -212.120              -1609.071
 CID1   Fr= 1--       1.137                 -3.196                 -2.117
 Raman2 Fr= 1--       3.660                 28.443                 78.043
 ROA2   Fr= 1--       4.646                 15.631               -532.897
 CID2   Fr= 1--       1.269                  0.550                 -6.828
 Raman3 Fr= 1--       7.320                 56.886                156.086
 ROA3   Fr= 1--      44.200               -212.120              -1609.071
 CID3   Fr= 1--       6.039                 -3.729                -10.309
 RC180  Fr= 1--      -0.623                  0.714                 -0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.04    -0.01  -0.04  -0.04    -0.01   0.06   0.06
     2   6     0.00  -0.02   0.00     0.10  -0.00   0.03    -0.00   0.06  -0.00
     3   6    -0.03   0.02   0.01    -0.03   0.01   0.00     0.34  -0.29  -0.18
     4   6    -0.03   0.03   0.02    -0.06   0.05   0.03    -0.23   0.20   0.12
     5   6     0.00  -0.03   0.04    -0.01   0.04  -0.04     0.01   0.06  -0.06
     6   6     0.03   0.02  -0.01    -0.03  -0.01   0.00    -0.34  -0.29   0.18
     7   6     0.03   0.03  -0.02    -0.06  -0.05   0.03     0.23   0.20  -0.12
     8   1    -0.01   0.02  -0.32    -0.03  -0.01   0.18     0.02   0.05   0.04
     9   1    -0.09   0.30  -0.07     0.05  -0.18   0.03     0.03  -0.03  -0.04
    10   1     0.01   0.02   0.32    -0.03   0.01   0.18    -0.02   0.05  -0.04
    11   1     0.09   0.30   0.07     0.05   0.18   0.03    -0.03  -0.03   0.04
    12   1     0.36  -0.11   0.02     0.43  -0.13   0.04     0.20   0.07   0.16
    13   1     0.08  -0.28  -0.26     0.08  -0.32  -0.32    -0.16  -0.10  -0.18
    14   1    -0.08  -0.28   0.26     0.08   0.32  -0.32     0.16  -0.10   0.18
    15   1    -0.36  -0.11  -0.02     0.43   0.13   0.04    -0.20   0.07  -0.16
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1848.5134              3093.6953              3094.2841
 Red. masses --      9.4405                 1.0511                 1.0513
 Frc consts  --     19.0061                 5.9271                 5.9308
 IR Inten    --     51.9886                13.4649                18.2833
 RamAct Fr= 1--     62.3558               378.6865                29.5511
  Dep-P Fr= 1--      0.7500                 0.0297                 0.7499
  Dep-U Fr= 1--      0.8571                 0.0577                 0.8571
 Alpha2 Fr= 1--      0.0000                 7.8485                 0.0000
 Beta2  Fr= 1--      8.9080                 3.6436                 4.2214
 AlphaG Fr= 1--      0.0000                 1.3871                 0.0000
 Gamma2 Fr= 1--     17.1230               -18.0838                24.2538
 Delta2 Fr= 1--    -13.7020                -2.4501                -8.5568
 Raman1 Fr= 1--     249.423               1514.746                118.205
 ROA1   Fr= 1--    1205.342              -1814.444               2054.544
 CID1   Fr= 1--       4.833                 -1.198                 17.381
 Raman2 Fr= 1--     106.896                 43.723                 50.657
 ROA2   Fr= 1--     520.568               -414.409                650.545
 CID2   Fr= 1--       4.870                 -9.478                 12.842
 Raman3 Fr= 1--     213.791                 87.446                101.314
 ROA3   Fr= 1--    1205.342              -1814.444               2054.544
 CID3   Fr= 1--       5.638                -20.749                 20.279
 RC180  Fr= 1--       0.714                 -0.885                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.08   0.08    -0.01  -0.03  -0.03    -0.01  -0.03  -0.03
     2   6    -0.28   0.00  -0.05    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.35  -0.30  -0.18    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.21   0.19   0.11     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.08   0.08     0.01  -0.03   0.03    -0.01   0.03  -0.03
     6   6     0.35   0.30  -0.18     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.21  -0.19   0.11    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   1     0.04  -0.06   0.00    -0.17   0.47   0.09     0.17  -0.47  -0.09
     9   1    -0.01   0.02   0.07     0.06  -0.14  -0.46    -0.06   0.14   0.46
    10   1     0.04   0.06   0.00     0.17   0.47  -0.09     0.17   0.47  -0.09
    11   1    -0.01  -0.02   0.07    -0.06  -0.14   0.46    -0.06  -0.14   0.47
    12   1     0.16   0.09   0.15     0.00   0.01   0.01     0.00   0.01   0.01
    13   1    -0.15  -0.09  -0.15    -0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    14   1    -0.15   0.09  -0.15     0.01  -0.00   0.00    -0.01   0.00  -0.01
    15   1     0.16  -0.09   0.15    -0.00   0.01  -0.01     0.00  -0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3132.6092              3132.8525              3171.9668
 Red. masses --      1.0573                 1.0573                 1.1170
 Frc consts  --      6.1129                 6.1138                 6.6213
 IR Inten    --     16.8296                 5.4329                 5.3986
 RamAct Fr= 1--     46.7497               321.2853               151.2283
  Dep-P Fr= 1--      0.7498                 0.0390                 0.7472
  Dep-U Fr= 1--      0.8570                 0.0751                 0.8553
 Alpha2 Fr= 1--      0.0002                 6.5143                 0.0072
 Beta2  Fr= 1--      6.6773                 4.0200                21.5581
 AlphaG Fr= 1--     -0.0001                -1.7516                -0.1859
 Gamma2 Fr= 1--    -10.2202                 9.1410                -7.7161
 Delta2 Fr= 1--     -7.5024                 0.3573                 1.3484
 Raman1 Fr= 1--     186.999               1285.141                604.913
 ROA1   Fr= 1--   -1221.211                888.971               -697.592
 CID1   Fr= 1--      -6.531                  0.692                 -1.153
 Raman2 Fr= 1--      80.128                 48.240                258.697
 ROA2   Fr= 1--    -185.265                216.526               -195.973
 CID2   Fr= 1--      -2.312                  4.488                 -0.758
 Raman3 Fr= 1--     160.255                 96.481                517.393
 ROA3   Fr= 1--   -1221.211                888.971               -697.592
 CID3   Fr= 1--      -7.620                  9.214                 -1.348
 RC180  Fr= 1--       0.714                 -0.850                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.05   0.05
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.03   0.03   0.02    -0.03   0.03   0.02     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.05  -0.05
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.03  -0.03   0.02     0.03   0.03  -0.02    -0.00   0.00  -0.00
     8   1     0.00  -0.01  -0.00    -0.00   0.01   0.00    -0.16   0.45   0.07
     9   1    -0.00   0.00   0.02     0.00  -0.00  -0.01    -0.06   0.13   0.49
    10   1     0.00   0.01  -0.00     0.00   0.01  -0.00     0.16   0.45  -0.07
    11   1    -0.00  -0.00   0.02    -0.00  -0.00   0.01     0.06   0.13  -0.49
    12   1    -0.11  -0.31  -0.38    -0.11  -0.31  -0.38    -0.00  -0.00   0.00
    13   1     0.46  -0.00   0.19     0.46  -0.00   0.19    -0.00   0.00  -0.00
    14   1     0.46   0.00   0.19    -0.46  -0.00  -0.19     0.00   0.00   0.00
    15   1    -0.11   0.31  -0.38     0.11  -0.31   0.38     0.00  -0.00  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3172.8859              3212.6937              3212.7775
 Red. masses --      1.1156                 1.1164                 1.1164
 Frc consts  --      6.6173                 6.7893                 6.7896
 IR Inten    --      5.4492                12.7560                 1.7202
 RamAct Fr= 1--     23.5079                43.7186               183.2856
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7145
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8335
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1124
 Beta2  Fr= 1--      3.3583                 6.2454                25.4609
 AlphaG Fr= 1--     -0.0000                 0.0001                 0.4029
 Gamma2 Fr= 1--     24.9152               -19.1107                12.4159
 Delta2 Fr= 1--      7.1466                 4.0161                 4.6947
 Raman1 Fr= 1--      94.032                174.874                733.143
 ROA1   Fr= 1--    2620.549              -1706.111               1342.161
 CID1   Fr= 1--      27.869                 -9.756                  1.831
 Raman2 Fr= 1--      40.299                 74.944                305.531
 ROA2   Fr= 1--     540.792               -490.785                260.425
 CID2   Fr= 1--      13.419                 -6.549                  0.852
 Raman3 Fr= 1--      80.598                149.889                611.062
 ROA3   Fr= 1--    2620.549              -1706.111               1342.161
 CID3   Fr= 1--      32.514                -11.383                  2.196
 RC180  Fr= 1--       0.714                  0.714                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.05  -0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.05  -0.02  -0.05    -0.05  -0.03  -0.05
     5   6     0.02  -0.05  -0.05    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00    -0.05   0.03  -0.05     0.05  -0.02   0.05
     8   1    -0.16   0.45   0.07    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9   1    -0.06   0.13   0.49     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.16  -0.46   0.07    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.06  -0.13   0.49     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   1     0.00   0.00  -0.00     0.10   0.31   0.37     0.10   0.32   0.38
    13   1    -0.00  -0.00  -0.00     0.46  -0.01   0.18     0.47  -0.01   0.18
    14   1    -0.00   0.00  -0.00     0.47   0.01   0.18    -0.46  -0.01  -0.18
    15   1     0.00  -0.00  -0.00     0.10  -0.31   0.38    -0.10   0.31  -0.37

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Molecular mass:    92.06260 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   360.58436 960.890031017.99593
           X            1.00000  -0.00000   0.00102
           Y            0.00000   1.00000  -0.00000
           Z           -0.00102   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.24020     0.09014     0.08508
 Rotational constants (GHZ):           5.00505     1.87820     1.77284
 Zero-point vibrational energy     322282.1 (Joules/Mol)
                                   77.02727 (Kcal/Mol)
 Warning -- explicit consideration of   7 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    148.93   255.15   275.86   460.71   548.94
          (Kelvin)            591.24   686.71   898.21   954.49  1000.32
                             1076.78  1164.46  1274.82  1315.96  1316.92
                             1366.84  1442.25  1475.95  1490.07  1523.29
                             1547.16  1570.15  1624.18  1663.23  1883.68
                             2078.14  2079.71  2117.51  2143.15  2597.51
                             2659.60  4451.14  4451.98  4507.13  4507.48
                             4563.75  4565.08  4622.35  4622.47
 
 Zero-point correction=                           0.122751 (Hartree/Particle)
 Thermal correction to Energy=                    0.129773
 Thermal correction to Enthalpy=                  0.130717
 Thermal correction to Gibbs Free Energy=         0.092005
 Sum of electronic and zero-point Energies=           -271.411651
 Sum of electronic and thermal Energies=              -271.404629
 Sum of electronic and thermal Enthalpies=            -271.403685
 Sum of electronic and thermal Free Energies=         -271.442398
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   81.434             26.525             81.477
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.471
 Rotational               0.889              2.981             27.358
 Vibrational             79.656             20.563             14.647
 Vibration     1          0.605              1.946              3.387
 Vibration     2          0.628              1.870              2.356
 Vibration     3          0.634              1.851              2.211
 Vibration     4          0.706              1.635              1.309
 Vibration     5          0.751              1.510              1.033
 Vibration     6          0.775              1.446              0.923
 Vibration     7          0.834              1.300              0.717
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.479622D-42        -42.319101        -97.443331
 Total V=0       0.138766D+15         14.142284         32.563813
 Vib (Bot)       0.649772D-55        -55.187239       -127.073313
 Vib (Bot)    1  0.198132D+01          0.296954          0.683763
 Vib (Bot)    2  0.113361D+01          0.054462          0.125404
 Vib (Bot)    3  0.104318D+01          0.018360          0.042274
 Vib (Bot)    4  0.586993D+00         -0.231367         -0.532743
 Vib (Bot)    5  0.473387D+00         -0.324784         -0.747843
 Vib (Bot)    6  0.430240D+00         -0.366289         -0.843413
 Vib (Bot)    7  0.351228D+00         -0.454411         -1.046321
 Vib (V=0)       0.187995D+02          1.274146          2.933831
 Vib (V=0)    1  0.254343D+01          0.405421          0.933515
 Vib (V=0)    2  0.173898D+01          0.240294          0.553297
 Vib (V=0)    3  0.165682D+01          0.219275          0.504898
 Vib (V=0)    4  0.127108D+01          0.104172          0.239865
 Vib (V=0)    5  0.118855D+01          0.075016          0.172730
 Vib (V=0)    6  0.115963D+01          0.064318          0.148097
 Vib (V=0)    7  0.111103D+01          0.045727          0.105290
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.347199D+08          7.540579         17.362824
 Rotational      0.212598D+06          5.327559         12.267158
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333                                                1 1          1111     1    11111111                                       
   22111100                                                8 8          4444     3    110000009998   8 7 66 6     4 43  3   11  1    
   11773399                                                4 0          9744     0    529753205118   0 4 96 2     7 18  2   97  0    
   33323344                                                9 5          0254     9    691596620556   9 8 53 4     7 12  0   27  4    
 
   XXXXXXXX                                                X X          XXXX     X    XXXXXXXXXXXX   X X X  X     X XX  X    X  X    
    XXXXXXX                                                X X          X        X    XX X     XXX     X          X     X            
    X   XXX                                                X X                   X    XX       XXX                                   
    X   XXX                                                X X                   X     X       XXX                                   
    X   XXX                                                X                     X     X       XXX                                   
        XX                                                 X                     X     X       XXX                                   
         X                                                 X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                           X       XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XX                                    
                                                           X                                    X                                    
                                                           X                                                                         
                                                           X                                                                         
                                                           X                                                                         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000237   -0.000001110   -0.000001583
      2        6          -0.000000601    0.000000846    0.000000603
      3        6           0.000000384    0.000000780    0.000000155
      4        6           0.000000514    0.000000411   -0.000000458
      5        6          -0.000000527   -0.000000140   -0.000000406
      6        6           0.000000924    0.000000056    0.000001234
      7        6          -0.000000464   -0.000000285    0.000000268
      8        1          -0.000000310    0.000000080    0.000000346
      9        1          -0.000000411   -0.000000120    0.000000121
     10        1           0.000000469    0.000000127   -0.000000147
     11        1           0.000000365    0.000000087    0.000000077
     12        1          -0.000000566   -0.000000370   -0.000000960
     13        1          -0.000000263   -0.000000255   -0.000000759
     14        1          -0.000000003    0.000000106    0.000001009
     15        1           0.000000253   -0.000000212    0.000000499
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000001583 RMS     0.000000561
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.115468D+03 -0.430968D-05 -0.467907D+01
      2  -0.430968D-05  0.803449D+02 -0.141414D-04
      3  -0.467907D+01 -0.141414D-04  0.730051D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.522111D+01 -0.891484D-04  0.395478D+01
      2   0.320825D-04  0.199489D+02  0.253772D-03
      3   0.344364D+02  0.419693D-03 -0.163675D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.104986D-02 -0.778904D+02 -0.866259D-03
      2  -0.153231D-02  0.291685D+02  0.244384D-03
      3   0.482452D-03  0.487219D+02  0.621875D-03
      4  -0.110347D+03 -0.144036D-02  0.607851D+02
      5  -0.931700D-03  0.617945D+02  0.119352D-02
      6   0.408611D+02 -0.108611D-03  0.334472D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.104616D+02  0.440324D+01  0.567083D+01 -0.243076D+01 -0.120149D+01
      2   0.440324D+01 -0.233917D+01  0.288972D+00 -0.120149D+01 -0.408137D+01
      3   0.567083D+01  0.288972D+00  0.192072D+01  0.310530D-01  0.196676D-01
                 6             7             8             9            10 
      1   0.310530D-01  0.331342D+01  0.286735D+01  0.250261D+01  0.621316D-03
      2   0.196676D-01  0.286735D+01  0.191064D+01  0.649097D+00 -0.106510D+02
      3   0.226762D+01  0.250261D+01  0.649097D+00 -0.431556D+01 -0.116944D-03
                11            12            13            14            15 
      1  -0.106510D+02 -0.116944D-03 -0.830799D+01  0.171048D-03 -0.493515D+01
      2   0.306468D-04 -0.485386D+00  0.171048D-03 -0.185120D+01  0.148256D-04
      3  -0.485386D+00  0.475744D-05 -0.493515D+01  0.148256D-04 -0.139580D+01
                16            17            18            19            20 
      1  -0.135705D-03 -0.683713D+01 -0.133923D-03 -0.123752D+02  0.769882D+01
      2  -0.683713D+01  0.000000D+00 -0.145875D+01  0.769882D+01 -0.569468D+01
      3  -0.133923D-03 -0.145875D+01 -0.108923D-03  0.339348D+01 -0.153422D+01
                21            22            23            24            25 
      1   0.339348D+01  0.139265D+02 -0.556214D+01  0.135215D+00  0.113129D+02
      2  -0.153422D+01 -0.556214D+01  0.686409D+01  0.423716D+00 -0.727109D+00
      3  -0.346530D+01  0.135215D+00  0.423716D+00  0.667101D+00 -0.166686D+01
                26            27            28            29            30 
      1  -0.727109D+00 -0.166686D+01  0.655412D+01 -0.436352D+01 -0.706564D+01
      2   0.696842D-01  0.822000D+00 -0.436352D+01  0.433957D+01  0.165381D+01
      3   0.822000D+00  0.235380D+01 -0.706564D+01  0.165381D+01  0.413326D+01
                31            32            33            34            35 
      1  -0.740439D+01  0.859506D+01 -0.132443D+01 -0.119515D+02  0.142416D+00
      2   0.859506D+01 -0.908000D+01  0.171933D+01  0.142416D+00  0.327139D+01
      3  -0.132443D+01  0.171933D+01  0.188418D+01  0.580861D+01  0.373358D+00
                36            37            38            39            40 
      1   0.580861D+01 -0.104617D+02  0.440336D+01 -0.567069D+01 -0.243073D+01
      2   0.373358D+00  0.440336D+01  0.233915D+01  0.289097D+00  0.120141D+01
      3  -0.241438D+01 -0.567069D+01  0.289097D+00 -0.192072D+01  0.311573D-01
                41            42            43            44            45 
      1   0.120141D+01  0.311573D-01 -0.331336D+01  0.286748D+01 -0.250259D+01
      2  -0.408141D+01 -0.197424D-01  0.286748D+01 -0.191065D+01  0.648781D+00
      3  -0.197424D-01  0.226741D+01 -0.250259D+01  0.648781D+00  0.431589D+01
                46            47            48            49            50 
      1   0.123742D+02  0.769875D+01 -0.339335D+01  0.139265D+02  0.556212D+01
      2   0.769875D+01  0.569472D+01 -0.153422D+01  0.556212D+01  0.686425D+01
      3  -0.339335D+01 -0.153422D+01  0.346525D+01  0.135198D+00 -0.423771D+00
                51            52            53            54            55 
      1   0.135198D+00 -0.113128D+02 -0.727119D+00  0.166694D+01 -0.655361D+01
      2  -0.423771D+00 -0.727119D+00 -0.697360D-01  0.822156D+00 -0.436349D+01
      3   0.667229D+00  0.166694D+01  0.822156D+00 -0.235395D+01  0.706556D+01
                56            57            58            59            60 
      1  -0.436349D+01  0.706556D+01 -0.740428D+01 -0.859498D+01 -0.132435D+01
      2  -0.433962D+01  0.165393D+01 -0.859498D+01 -0.907996D+01 -0.171945D+01
      3   0.165393D+01 -0.413331D+01 -0.132435D+01 -0.171945D+01  0.188404D+01
                61            62            63            64            65 
      1   0.119514D+02  0.142522D+00 -0.580873D+01 -0.950372D+00  0.156143D+01
      2   0.142522D+00 -0.327147D+01  0.373155D+00  0.156143D+01 -0.306762D+01
      3  -0.580873D+01  0.373155D+00  0.241456D+01  0.902691D-01  0.764550D+00
                66            67            68            69            70 
      1   0.902691D-01  0.363470D+01 -0.303286D+01  0.799532D+00  0.151683D+01
      2   0.764550D+00 -0.303286D+01  0.105203D+02 -0.220373D+01 -0.373940D+00
      3  -0.729795D+00  0.799532D+00 -0.220373D+01  0.172768D+01 -0.376888D+00
                71            72            73            74            75 
      1  -0.373940D+00 -0.376888D+00  0.106579D+01 -0.905131D-01 -0.426966D+00
      2   0.744863D+00  0.121479D+01 -0.905131D-01 -0.347802D+00 -0.948351D-01
      3   0.121479D+01 -0.116737D+01 -0.426966D+00 -0.948351D-01  0.104783D+01
                76            77            78            79            80 
      1  -0.613590D+00 -0.499453D+00 -0.127979D-01 -0.201614D+01 -0.282070D+00
      2  -0.499453D+00  0.686559D+00 -0.116322D+01 -0.282070D+00 -0.184125D+01
      3  -0.127979D-01 -0.116322D+01 -0.171667D+01 -0.696073D+00  0.175408D+01
                81            82            83            84            85 
      1  -0.696073D+00  0.950341D+00  0.156141D+01 -0.902448D-01  0.363472D+01
      2   0.175408D+01  0.156141D+01  0.306755D+01  0.764596D+00  0.303283D+01
      3  -0.110115D+02 -0.902448D-01  0.764596D+00  0.729822D+00  0.799586D+00
                86            87            88            89            90 
      1   0.303283D+01  0.799586D+00 -0.151674D+01 -0.373874D+00  0.376896D+00
      2   0.105202D+02  0.220390D+01 -0.373874D+00 -0.744683D+00  0.121479D+01
      3   0.220390D+01  0.172775D+01  0.376896D+00  0.121479D+01  0.116744D+01
                91            92            93            94            95 
      1  -0.106578D+01 -0.905365D-01  0.426941D+00 -0.613628D+00  0.499458D+00
      2  -0.905365D-01  0.347815D+00 -0.947929D-01  0.499458D+00  0.686430D+00
      3   0.426941D+00 -0.947929D-01 -0.104783D+01 -0.128056D-01  0.116322D+01
                96            97            98            99           100 
      1  -0.128056D-01  0.201613D+01 -0.282074D+00  0.696051D+00  0.200863D+01
      2   0.116322D+01 -0.282074D+00  0.184117D+01  0.175382D+01 -0.121498D+01
      3  -0.171692D+01  0.696051D+00  0.175382D+01  0.110115D+02 -0.287403D+00
               101           102           103           104           105 
      1  -0.121498D+01 -0.287403D+00 -0.207460D+01  0.128620D+01  0.162145D+01
      2  -0.389335D+00 -0.668376D+00  0.128620D+01 -0.368967D+01 -0.321101D+01
      3  -0.668376D+00 -0.120121D+01  0.162145D+01 -0.321101D+01 -0.363633D+01
               106           107           108           109           110 
      1  -0.974935D+00  0.152053D+01  0.102580D+01  0.131750D+02 -0.266899D+01
      2   0.152053D+01 -0.438809D+01 -0.352123D+01 -0.266899D+01  0.179368D+01
      3   0.102580D+01 -0.352123D+01 -0.454531D+01  0.146189D+01 -0.167320D+00
               111           112           113           114           115 
      1   0.146189D+01 -0.883838D+00  0.121428D+01  0.121749D+01  0.478462D+01
      2  -0.167320D+00  0.121428D+01 -0.294133D+00 -0.511556D+00  0.271302D+00
      3   0.115665D+01  0.121749D+01 -0.511556D+00 -0.495504D+00  0.142665D+01
               116           117           118           119           120 
      1   0.271302D+00  0.142665D+01 -0.131750D+02 -0.266907D+01 -0.146192D+01
      2  -0.561168D+00 -0.562446D+00 -0.266907D+01 -0.179372D+01 -0.167354D+00
      3  -0.562446D+00  0.665234D+00 -0.146192D+01 -0.167354D+00 -0.115663D+01
               121           122           123           124           125 
      1  -0.883976D+00 -0.121437D+01  0.121747D+01 -0.478464D+01  0.271254D+00
      2  -0.121437D+01 -0.294217D+00  0.511579D+00  0.271254D+00  0.561181D+00
      3   0.121747D+01  0.511579D+00 -0.495509D+00 -0.142661D+01 -0.562429D+00
               126           127           128           129           130 
      1  -0.142661D+01 -0.200857D+01 -0.121496D+01  0.287371D+00 -0.207460D+01
      2  -0.562429D+00 -0.121496D+01  0.389425D+00 -0.668449D+00 -0.128623D+01
      3  -0.665253D+00  0.287371D+00 -0.668449D+00  0.120126D+01  0.162139D+01
               131           132           133           134           135 
      1  -0.128623D+01  0.162139D+01  0.974899D+00  0.152047D+01 -0.102567D+01
      2  -0.368985D+01  0.321104D+01  0.152047D+01  0.438814D+01 -0.352116D+01
      3   0.321104D+01 -0.363627D+01 -0.102567D+01 -0.352116D+01  0.454509D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.139782D+01 -0.370897D+01 -0.369577D+01 -0.466586D+00 -0.105663D+02
      2   0.677983D+00 -0.201323D+00  0.283964D+01 -0.479818D+01  0.607853D+01
      3   0.397245D+01  0.330397D+01  0.477801D+01  0.590165D+01  0.318897D+01
                 6             7             8             9            10 
      1  -0.885209D+01 -0.246110D+01  0.822006D+01  0.115577D+02 -0.156718D-03
      2   0.498219D+01 -0.271985D+01 -0.135055D+01 -0.890517D+01  0.741701D+01
      3   0.822236D+00  0.410091D+01 -0.139170D+01 -0.565418D+00  0.510018D-03
                11            12            13            14            15 
      1   0.556193D+00  0.193481D-05 -0.106361D+02  0.288726D-04 -0.253500D+01
      2   0.129224D-05  0.975739D+01 -0.162064D-04 -0.338319D+01 -0.561973D-04
      3  -0.166303D+02 -0.317033D-04  0.184317D+02  0.713079D-04 -0.507743D+00
                16            17            18            19            20 
      1  -0.133447D-03  0.885602D+00  0.154437D-04 -0.602438D+00  0.239961D+01
      2  -0.224978D+02 -0.124120D-03  0.150989D+01  0.100162D+01  0.136288D+01
      3  -0.757723D-05 -0.384022D+01 -0.176775D-04  0.583864D+00  0.581736D+01
                21            22            23            24            25 
      1  -0.554211D+01  0.360448D+01 -0.773743D+01 -0.204713D+01 -0.102096D+02
      2  -0.446944D+01  0.106486D+01 -0.237364D+01  0.277044D+01 -0.176426D+02
      3  -0.468226D+01  0.226687D+02 -0.188171D+02  0.178515D+00  0.126134D+00
                26            27            28            29            30 
      1   0.576306D+01  0.515328D+01 -0.590149D+01 -0.258560D+01  0.526294D+01
      2   0.394059D+01  0.591305D+01 -0.158929D+02  0.629815D+01  0.102789D+02
      3   0.150289D+01  0.396466D+01  0.109555D+02 -0.125663D+02 -0.127088D+01
                31            32            33            34            35 
      1  -0.279219D+01  0.257942D+01 -0.243511D+01  0.179460D+01  0.340283D+01
      2  -0.371161D+01  0.786430D+01  0.430851D+01  0.223459D+01  0.603634D+01
      3  -0.108691D+02  0.153568D+02 -0.677484D+01  0.764267D+01 -0.873757D+01
                36            37            38            39            40 
      1   0.151559D+01 -0.139785D+01 -0.370915D+01  0.369567D+01 -0.466741D+00
      2  -0.378442D+01  0.677930D+00  0.201113D+00  0.283980D+01  0.479790D+01
      3  -0.726761D+01 -0.397247D+01  0.330420D+01 -0.477783D+01  0.590185D+01
                41            42            43            44            45 
      1   0.105662D+02 -0.885152D+01  0.246100D+01  0.822070D+01 -0.115579D+02
      2   0.607859D+01 -0.498175D+01 -0.271946D+01  0.135127D+01 -0.890565D+01
      3  -0.318889D+01  0.822098D+00 -0.410072D+01 -0.139168D+01  0.565063D+00
                46            47            48            49            50 
      1   0.602709D+00  0.239946D+01  0.554217D+01  0.360436D+01  0.773745D+01
      2   0.100181D+01 -0.136262D+01 -0.446957D+01 -0.106448D+01 -0.237346D+01
      3  -0.584501D+00  0.581699D+01  0.468219D+01  0.226684D+02  0.188170D+02
                51            52            53            54            55 
      1  -0.204687D+01  0.102098D+02  0.576332D+01 -0.515324D+01  0.590142D+01
      2  -0.277073D+01 -0.176429D+02 -0.394100D+01  0.591337D+01 -0.158929D+02
      3   0.178782D+00 -0.126196D+00  0.150321D+01 -0.396448D+01 -0.109554D+02
                56            57            58            59            60 
      1  -0.258539D+01 -0.526308D+01 -0.279206D+01 -0.257948D+01 -0.243515D+01
      2  -0.629863D+01  0.102791D+02  0.371121D+01  0.786435D+01 -0.430820D+01
      3  -0.125664D+02  0.127116D+01 -0.108689D+02 -0.153564D+02 -0.677524D+01
                61            62            63            64            65 
      1  -0.179471D+01  0.340286D+01 -0.151545D+01 -0.186048D+01  0.361574D+01
      2   0.223526D+01 -0.603588D+01 -0.378511D+01 -0.260529D+01  0.112524D+01
      3  -0.764253D+01 -0.873802D+01  0.726736D+01  0.189214D+01 -0.304962D+01
                66            67            68            69            70 
      1  -0.428881D+00  0.247945D+01 -0.114431D+02 -0.166132D+01 -0.323407D-02
      2   0.130253D+01  0.208724D+01 -0.105908D+01 -0.161556D+01  0.708339D-01
      3   0.996138D+00  0.275694D+01  0.865225D+01 -0.202211D+01  0.102169D+01
                71            72            73            74            75 
      1  -0.208244D+01  0.182448D+00  0.155655D+01 -0.338658D+00 -0.110643D+01
      2  -0.196715D+01  0.131790D+01  0.293263D+01 -0.488571D+00 -0.677010D+00
      3   0.395842D+00  0.921507D+00 -0.813722D+00 -0.145939D+01  0.846921D-02
                76            77            78            79            80 
      1   0.144598D+00 -0.188103D-01  0.336278D+01  0.551746D+00  0.237693D+01
      2  -0.878430D+00  0.103163D+01  0.279118D+01 -0.396976D+01 -0.260407D+01
      3  -0.564930D+00  0.114564D+00 -0.158093D+01 -0.294532D+01 -0.196749D+01
                81            82            83            84            85 
      1   0.117928D+02  0.186046D+01  0.361567D+01  0.428971D+00  0.247939D+01
      2   0.129951D+02 -0.260522D+01 -0.112517D+01  0.130252D+01 -0.208725D+01
      3   0.318636D+00 -0.189217D+01 -0.304958D+01 -0.996178D+00  0.275697D+01
                86            87            88            89            90 
      1   0.114432D+02 -0.166108D+01  0.328560D-02 -0.208214D+01 -0.182524D+00
      2  -0.105893D+01  0.161556D+01  0.708092D-01  0.196704D+01  0.131797D+01
      3  -0.865215D+01 -0.202223D+01 -0.102159D+01  0.395719D+00 -0.921488D+00
                91            92            93            94            95 
      1  -0.155655D+01 -0.338710D+00  0.110641D+01  0.144580D+00  0.186509D-01
      2   0.293257D+01  0.488661D+00 -0.676955D+00  0.878540D+00  0.103163D+01
      3   0.813797D+00 -0.145936D+01 -0.854712D-02 -0.564970D+00 -0.114416D+00
                96            97            98            99           100 
      1   0.336311D+01 -0.551705D+00  0.237727D+01 -0.117926D+02  0.115975D+01
      2  -0.279149D+01 -0.396979D+01  0.260372D+01  0.129949D+02 -0.108124D+01
      3  -0.158097D+01  0.294518D+01 -0.196740D+01 -0.318359D+00  0.208163D+01
               101           102           103           104           105 
      1   0.140847D+00 -0.226412D+01  0.356117D+01 -0.124907D+01 -0.493001D+01
      2  -0.220649D+01 -0.254289D+01  0.104302D+01 -0.754211D+01 -0.882993D+01
      3   0.164077D+01  0.236897D+01 -0.798164D+00  0.880522D+01  0.807998D+01
               106           107           108           109           110 
      1  -0.126378D+01  0.171490D+01 -0.467974D+01  0.298923D+01  0.199096D+00
      2   0.143626D+01 -0.981831D+01 -0.108233D+02  0.100896D+02 -0.280090D+01
      3  -0.190039D+01  0.113013D+02  0.950931D+01 -0.492719D+01 -0.546089D+01
               111           112           113           114           115 
      1   0.120360D+01 -0.437032D-01  0.178980D+00 -0.422273D+00  0.178184D+01
      2   0.664156D+01  0.329526D+01 -0.230817D+01 -0.125483D+01  0.297698D+01
      3  -0.791635D+00  0.551458D+00 -0.810454D+00  0.383576D+00 -0.589159D+01
               116           117           118           119           120 
      1   0.250352D+00  0.983094D-01 -0.298924D+01  0.199073D+00 -0.120364D+01
      2  -0.761765D+00  0.369965D+01  0.100895D+02  0.280100D+01  0.664152D+01
      3   0.816829D+00  0.161350D+01  0.492719D+01 -0.546089D+01  0.791607D+00
               121           122           123           124           125 
      1  -0.436595D-01 -0.178932D+00 -0.422305D+00 -0.178179D+01  0.250315D+00
      2  -0.329512D+01 -0.230819D+01  0.125490D+01  0.297677D+01  0.761702D+00
      3   0.551277D+00  0.810234D+00  0.383667D+00  0.589148D+01  0.816923D+00
               126           127           128           129           130 
      1  -0.983201D-01 -0.115974D+01  0.140792D+00  0.226426D+01  0.356110D+01
      2   0.369970D+01 -0.108128D+01  0.220666D+01 -0.254300D+01 -0.104294D+01
      3  -0.161349D+01 -0.208169D+01  0.164104D+01 -0.236918D+01 -0.798154D+00
               131           132           133           134           135 
      1   0.124919D+01 -0.493010D+01  0.126386D+01  0.171483D+01  0.467966D+01
      2  -0.754225D+01  0.882978D+01  0.143603D+01  0.981818D+01 -0.108228D+02
      3  -0.880569D+01  0.808014D+01  0.190028D+01  0.113014D+02 -0.950917D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.384479D+01  0.981217D+01  0.531522D+01  0.303975D+01  0.371577D+01
      2  -0.502279D+01 -0.142814D+02 -0.993392D+01 -0.547628D+01 -0.187075D+02
      3   0.886758D+01  0.446926D+01  0.461870D+01  0.243654D+01  0.149917D+02
      4   0.483193D+01 -0.629514D+01  0.224526D+01 -0.128073D+01 -0.216375D+02
      5   0.214274D+02  0.671538D+01  0.124122D+02  0.530351D+00 -0.356680D+01
      6   0.140591D+02 -0.177377D+01  0.217942D+01 -0.325723D+01 -0.340291D+01
                 6             7             8             9            10 
      1  -0.449382D+01 -0.520090D+01 -0.554906D+00  0.170534D+02  0.262755D+02
      2  -0.547401D+01 -0.225268D+01  0.530620D+01  0.114539D+02 -0.556803D+01
      3   0.996782D+01  0.745357D+01 -0.475129D+01 -0.285073D+02 -0.207075D+02
      4  -0.419644D+01  0.883322D+01  0.199385D+01  0.147274D+01 -0.531390D-03
      5   0.205903D+01  0.148090D+02  0.385138D+01 -0.339594D+01 -0.389761D+02
      6   0.421226D+01  0.675284D+01  0.658289D+01  0.193708D+01  0.506559D-03
                11            12            13            14            15 
      1  -0.113441D-03  0.576641D+00 -0.224470D-03  0.354307D+01 -0.281285D-04
      2   0.175581D-03  0.371705D+01  0.256942D-03  0.307900D+01  0.156971D-03
      3  -0.621403D-04 -0.429369D+01 -0.324722D-04 -0.662207D+01 -0.128843D-03
      4   0.176990D+02  0.146988D-03 -0.546078D+01 -0.780595D-05  0.264877D+01
      5   0.194124D-03  0.202842D+01  0.253026D-03 -0.969855D+01  0.247493D-04
      6  -0.778385D+01 -0.604179D-04 -0.110284D+02  0.287512D-03 -0.428432D+01
                16            17            18            19            20 
      1   0.119721D+02 -0.109343D-04 -0.431236D+01 -0.292238D+02  0.841991D+01
      2  -0.125204D+01  0.317432D-03 -0.679029D-01  0.111376D+02  0.502561D+01
      3  -0.107201D+02 -0.306497D-03  0.438027D+01  0.180863D+02 -0.134455D+02
      4   0.202382D-03  0.221017D+01 -0.112042D-04  0.252915D+02 -0.250269D+02
      5  -0.228280D+02 -0.930599D-04 -0.547134D+01  0.314744D+02 -0.107062D+02
      6  -0.112628D-03 -0.764464D+01 -0.238010D-03 -0.748288D+01  0.276496D+01
                21            22            23            24            25 
      1   0.118567D+02  0.216660D+02 -0.150063D+02 -0.200858D+01  0.177444D+02
      2  -0.870627D+01 -0.693776D+01  0.350968D+01  0.521742D+01 -0.741729D+01
      3  -0.315041D+01 -0.147282D+02  0.114966D+02 -0.320884D+01 -0.103271D+02
      4  -0.685052D+01 -0.226265D+02  0.328959D+02 -0.447665D+00 -0.194545D+02
      5  -0.182275D+02 -0.145281D+02  0.611943D+01  0.913272D+01 -0.677696D+01
      6   0.441717D+01  0.688825D+01 -0.428211D+01  0.461592D+01  0.676339D+01
                26            27            28            29            30 
      1  -0.102811D+01 -0.150237D+02  0.320945D+01 -0.772953D+01 -0.261202D+02
      2  -0.411852D+01  0.348995D+01 -0.362809D+01 -0.430970D+00  0.173093D+02
      3   0.514664D+01  0.115337D+02  0.418649D+00  0.816050D+01  0.881085D+01
      4   0.175456D+01  0.348638D+01 -0.131031D+02  0.226882D+02  0.119650D+02
      5   0.220339D+01  0.938759D+01 -0.443169D+02  0.102049D+02  0.233603D+02
      6   0.617692D+01 -0.566219D+01  0.107487D+02 -0.580808D+01 -0.366732D+01
                31            32            33            34            35 
      1  -0.441977D+01  0.138819D+02  0.700825D+01 -0.458795D+02  0.144213D+02
      2  -0.151319D+02  0.141438D+02 -0.166086D+01  0.327854D+02 -0.141688D+02
      3   0.195516D+02 -0.280257D+02 -0.534740D+01  0.130941D+02 -0.252468D+00
      4   0.465781D+02 -0.436026D+02  0.417347D+01  0.652551D+01  0.104839D+02
      5  -0.452693D+01  0.526581D+01  0.756872D+01  0.367257D+02 -0.193445D+01
      6  -0.208689D+01 -0.883020D+01 -0.342511D+01 -0.722980D+01 -0.175203D+01
                36            37            38            39            40 
      1   0.227352D+02 -0.384476D+01 -0.981213D+01  0.531481D+01 -0.303952D+01
      2  -0.188494D+02 -0.502218D+01  0.142818D+02 -0.993349D+01  0.547655D+01
      3  -0.388577D+01  0.886694D+01 -0.446966D+01  0.461868D+01 -0.243703D+01
      4  -0.570254D+00 -0.483217D+01 -0.629516D+01 -0.224562D+01 -0.128049D+01
      5  -0.166561D+02  0.214273D+02 -0.671582D+01  0.124120D+02 -0.530786D+00
      6  -0.727490D+01 -0.140593D+02 -0.177326D+01 -0.217978D+01 -0.325683D+01
                41            42            43            44            45 
      1   0.371580D+01  0.449315D+01 -0.520113D+01  0.554121D+00  0.170542D+02
      2  -0.187077D+02  0.547314D+01 -0.225217D+01 -0.530729D+01  0.114541D+02
      3   0.149919D+02 -0.996629D+01  0.745330D+01  0.475317D+01 -0.285083D+02
      4   0.216380D+02 -0.419610D+01 -0.883378D+01  0.199425D+01 -0.147227D+01
      5  -0.356637D+01 -0.205901D+01  0.148088D+02 -0.385096D+01 -0.339663D+01
      6   0.340197D+01  0.421259D+01 -0.675304D+01  0.658251D+01 -0.193540D+01
                46            47            48            49            50 
      1  -0.292227D+02 -0.841997D+01  0.118566D+02 -0.216660D+02 -0.150065D+02
      2   0.111368D+02 -0.502560D+01 -0.870614D+01  0.693745D+01  0.350943D+01
      3   0.180859D+02  0.134456D+02 -0.315043D+01  0.147286D+02  0.114971D+02
      4  -0.252904D+02 -0.250268D+02  0.685062D+01 -0.226269D+02 -0.328963D+02
      5   0.314738D+02  0.107063D+02 -0.182272D+02  0.145281D+02  0.611958D+01
      6   0.748221D+01  0.276464D+01 -0.441720D+01  0.688811D+01  0.428158D+01
                51            52            53            54            55 
      1   0.200918D+01  0.177439D+02  0.102865D+01 -0.150241D+02  0.320855D+01
      2  -0.521780D+01 -0.741670D+01  0.411817D+01  0.348985D+01 -0.362753D+01
      3   0.320861D+01 -0.103272D+02 -0.514683D+01  0.115343D+02  0.418987D+00
      4  -0.447482D+00  0.194546D+02  0.175447D+01 -0.348687D+01  0.131023D+02
      5  -0.913302D+01 -0.677661D+01 -0.220377D+01  0.938787D+01 -0.443163D+02
      6   0.461582D+01 -0.676325D+01  0.617717D+01  0.566226D+01 -0.107487D+02
                56            57            58            59            60 
      1   0.772918D+01 -0.261197D+02  0.441928D+01  0.138820D+02 -0.700899D+01
      2   0.431156D+00  0.173090D+02  0.151319D+02  0.141435D+02  0.166177D+01
      3  -0.816033D+01  0.881073D+01 -0.195512D+02 -0.280255D+02  0.534723D+01
      4   0.226881D+02 -0.119655D+02  0.465774D+02  0.436023D+02  0.417377D+01
      5  -0.102053D+02  0.233603D+02  0.452642D+01  0.526615D+01 -0.756800D+01
      6  -0.580827D+01  0.366770D+01 -0.208657D+01  0.883100D+01 -0.342513D+01
                61            62            63            64            65 
      1  -0.458790D+02 -0.144221D+02  0.227353D+02  0.381317D+01  0.186084D+01
      2   0.327851D+02  0.141697D+02 -0.188497D+02  0.351374D+01 -0.870132D+01
      3   0.130939D+02  0.252342D+00 -0.388563D+01 -0.732691D+01  0.684049D+01
      4  -0.652623D+01  0.104839D+02  0.571306D+00 -0.101891D+02  0.171125D+02
      5   0.367262D+02  0.193547D+01 -0.166570D+02  0.915428D+00 -0.456676D+01
      6   0.723040D+01 -0.175172D+01  0.727436D+01 -0.139394D+01  0.510711D+01
                66            67            68            69            70 
      1  -0.183128D+01  0.100184D+01 -0.213271D+02  0.575845D+01 -0.188578D+01
      2   0.253466D+01 -0.886018D+01  0.410039D+02 -0.531176D+01  0.177982D+00
      3  -0.703378D+00  0.785834D+01 -0.196768D+02 -0.446693D+00  0.170780D+01
      4  -0.377351D+01  0.159993D+02 -0.344497D+02  0.755328D+01  0.162736D+01
      5   0.398322D+01 -0.487927D+01  0.923525D+01 -0.536371D+01  0.761245D+00
      6  -0.249120D+01  0.692935D+01 -0.171749D+02  0.951450D+01 -0.137448D+01
                71            72            73            74            75 
      1   0.634324D+00 -0.486602D+01 -0.492509D+00  0.254548D+00  0.428154D+01
      2   0.509011D+01  0.996425D+00 -0.206300D+01 -0.632147D+00  0.108298D+01
      3  -0.572443D+01  0.386959D+01  0.255551D+01  0.377599D+00 -0.536452D+01
      4  -0.207343D+01 -0.420472D+01  0.872247D+00  0.313687D+01 -0.172930D+01
      5  -0.371456D+01  0.269159D+01 -0.489286D+00 -0.797984D+00  0.543474D+01
      6   0.529864D+01 -0.268208D+01  0.105311D+01 -0.194469D+00  0.118067D+01
                76            77            78            79            80 
      1   0.216006D+01 -0.435003D+01 -0.380426D+01  0.140052D+01  0.692107D+01
      2  -0.197624D+01  0.277656D+01 -0.630220D+01 -0.242800D+01 -0.456083D+00
      3  -0.183823D+00  0.157347D+01  0.101065D+02  0.102749D+01 -0.646499D+01
      4   0.237315D+01 -0.241293D+01  0.313555D+01 -0.152430D+00  0.447372D+01
      5   0.225802D+01  0.295151D+01  0.276985D+01  0.645629D+01 -0.372833D+01
      6   0.146905D+01 -0.124007D+01  0.568750D+01 -0.886295D+00  0.802544D+01
                81            82            83            84            85 
      1  -0.318877D+02  0.381312D+01 -0.186085D+01 -0.183134D+01 -0.100180D+01
      2  -0.217957D+02  0.351365D+01  0.870098D+01  0.253475D+01  0.885976D+01
      3   0.536834D+02 -0.732677D+01 -0.684014D+01 -0.703405D+00 -0.785796D+01
      4  -0.316201D+01  0.101889D+02  0.171121D+02  0.377375D+01  0.159991D+02
      5   0.196926D+02  0.915580D+00  0.456699D+01  0.398337D+01  0.487963D+01
      6  -0.124764D+02  0.139415D+01  0.510738D+01  0.249139D+01  0.692968D+01
                86            87            88            89            90 
      1  -0.213271D+02 -0.575886D+01 -0.188583D+01 -0.634677D+00 -0.486613D+01
      2   0.410032D+02  0.531223D+01  0.178144D+00 -0.508942D+01  0.996338D+00
      3  -0.196761D+02  0.446629D+00  0.170769D+01  0.572409D+01  0.386979D+01
      4   0.344491D+02  0.755379D+01 -0.162705D+01 -0.207281D+01  0.420473D+01
      5   0.923577D+01  0.536401D+01  0.761285D+00  0.371461D+01  0.269182D+01
      6   0.171761D+02  0.951497D+01  0.137458D+01  0.529869D+01  0.268232D+01
                91            92            93            94            95 
      1  -0.492470D+00 -0.254730D+00  0.428143D+01 -0.216010D+01 -0.434991D+01
      2  -0.206292D+01  0.632128D+00  0.108306D+01  0.197622D+01  0.277631D+01
      3   0.255539D+01 -0.377398D+00 -0.536449D+01  0.183877D+00  0.157360D+01
      4  -0.872273D+00  0.313678D+01  0.172920D+01  0.237315D+01  0.241260D+01
      5  -0.489334D+00  0.797891D+00  0.543471D+01 -0.225818D+01  0.295150D+01
      6  -0.105329D+01 -0.194391D+00 -0.118050D+01  0.146910D+01  0.123967D+01
                96            97            98            99           100 
      1   0.380507D+01  0.140047D+01 -0.692023D+01 -0.318875D+02  0.819895D+01
      2   0.630254D+01 -0.242794D+01  0.456405D+00 -0.217960D+02 -0.202008D+01
      3  -0.101076D+02  0.102746D+01  0.646382D+01  0.536834D+02 -0.617887D+01
      4   0.313555D+01  0.152292D+00  0.447357D+01  0.316159D+01 -0.687320D+01
      5  -0.277024D+01  0.645615D+01  0.372790D+01  0.196924D+02 -0.105441D+01
      6   0.568754D+01  0.886232D+00  0.802491D+01  0.124747D+02  0.161829D+01
               101           102           103           104           105 
      1  -0.826604D+01 -0.555109D+01 -0.433969D+01 -0.112195D+02 -0.874859D+01
      2   0.410225D+01  0.132890D+01  0.351832D+01  0.109406D+02  0.465754D+01
      3   0.416379D+01  0.422219D+01  0.821373D+00  0.278965D+00  0.409105D+01
      4   0.376608D+01  0.823953D+00  0.954694D+01 -0.141872D+02 -0.122408D+02
      5   0.198398D+00 -0.996110D+00  0.900525D+01 -0.128830D+02 -0.157664D+02
      6   0.273906D+01  0.311481D+01 -0.541563D+01  0.159517D+02  0.155632D+02
               106           107           108           109           110 
      1   0.155902D+01 -0.125803D+02 -0.153834D+02  0.821806D+02 -0.119122D+02
      2  -0.302927D+01  0.112791D+02  0.415339D+01 -0.376230D+02  0.299357D+01
      3   0.147024D+01  0.130119D+01  0.112300D+02 -0.445576D+02  0.891863D+01
      4   0.778531D+01 -0.166471D+02 -0.126690D+02 -0.296414D+02  0.159415D+02
      5   0.647291D+01 -0.132766D+02 -0.174518D+02  0.919169D+01 -0.168767D+01
      6  -0.567871D+01  0.169174D+02  0.182776D+02 -0.649970D+01  0.105673D+01
               111           112           113           114           115 
      1   0.864153D+01 -0.442409D+01  0.575234D+01  0.289950D+01  0.278362D+02
      2  -0.391472D+01  0.106425D+01 -0.164294D+01 -0.132862D+01 -0.156509D+02
      3  -0.472681D+01  0.335983D+01 -0.410939D+01 -0.157088D+01 -0.121853D+02
      4  -0.266787D+01  0.987428D+01 -0.260694D+01 -0.164194D+01 -0.277246D+01
      5   0.952155D+01  0.727352D+01 -0.227359D+01 -0.290890D+01  0.107000D+02
      6  -0.339928D+01 -0.135274D+01  0.174007D+01  0.247611D+01 -0.435939D+01
               116           117           118           119           120 
      1  -0.245053D+01  0.519309D+01  0.821805D+02  0.119126D+02  0.864157D+01
      2   0.153296D+01 -0.374977D+01 -0.376229D+02 -0.299365D+01 -0.391477D+01
      3   0.917565D+00 -0.144332D+01 -0.445575D+02 -0.891892D+01 -0.472680D+01
      4  -0.109103D+01 -0.457667D+01  0.296423D+02  0.159419D+02  0.266806D+01
      5  -0.301496D+01  0.612819D+01  0.919193D+01  0.168785D+01  0.952151D+01
      6   0.274571D+01 -0.850469D+00  0.649983D+01  0.105683D+01  0.339931D+01
               121           122           123           124           125 
      1   0.442467D+01  0.575254D+01 -0.289937D+01  0.278360D+02  0.245079D+01
      2  -0.106436D+01 -0.164289D+01  0.132852D+01 -0.156509D+02 -0.153314D+01
      3  -0.336032D+01 -0.410965D+01  0.157084D+01 -0.121851D+02 -0.917650D+00
      4   0.987497D+01  0.260753D+01 -0.164203D+01  0.277288D+01 -0.109102D+01
      5  -0.727339D+01 -0.227369D+01  0.290894D+01  0.106998D+02  0.301487D+01
      6  -0.135273D+01 -0.174012D+01  0.247613D+01  0.435931D+01  0.274571D+01
               126           127           128           129           130 
      1   0.519290D+01  0.819867D+01  0.826634D+01 -0.555118D+01  0.433965D+01
      2  -0.374965D+01 -0.201989D+01 -0.410255D+01  0.132900D+01 -0.351804D+01
      3  -0.144326D+01 -0.617878D+01 -0.416379D+01  0.422218D+01 -0.821606D+00
      4   0.457662D+01  0.687300D+01  0.376590D+01 -0.823695D+00  0.954708D+01
      5   0.612830D+01 -0.105415D+01 -0.198117D+00 -0.996426D+00 -0.900486D+01
      6   0.850524D+00 -0.161815D+01  0.273940D+01 -0.311512D+01 -0.541560D+01
               131           132           133           134           135 
      1  -0.112201D+02  0.874889D+01  0.155898D+01  0.125806D+02 -0.153833D+02
      2   0.109415D+02 -0.465809D+01 -0.302947D+01 -0.112797D+02  0.415396D+01
      3   0.278609D+00 -0.409081D+01  0.147048D+01 -0.130089D+01  0.112293D+02
      4   0.141877D+02 -0.122408D+02 -0.778495D+01 -0.166470D+02  0.126685D+02
      5  -0.128830D+02  0.157660D+02  0.647224D+01  0.132761D+02 -0.174506D+02
      6  -0.159521D+02  0.155632D+02  0.567831D+01  0.169173D+02 -0.182771D+02
 Leave Link  716 at Fri Jul 23 17:40:56 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.115468D+03 -0.430968D-05 -0.467907D+01
      2  -0.430968D-05  0.803449D+02 -0.141414D-04
      3  -0.467907D+01 -0.141414D-04  0.730051D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.522111D+01 -0.891484D-04  0.395478D+01
      2   0.320825D-04  0.199489D+02  0.253772D-03
      3   0.344364D+02  0.419693D-03 -0.163675D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.104986D-02 -0.778904D+02 -0.866259D-03
      2  -0.153231D-02  0.291685D+02  0.244384D-03
      3   0.482452D-03  0.487219D+02  0.621875D-03
      4  -0.110347D+03 -0.144036D-02  0.607851D+02
      5  -0.931700D-03  0.617945D+02  0.119352D-02
      6   0.408611D+02 -0.108611D-03  0.334472D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.104616D+02  0.440324D+01  0.567083D+01 -0.243076D+01 -0.120149D+01
      2   0.440324D+01 -0.233917D+01  0.288972D+00 -0.120149D+01 -0.408137D+01
      3   0.567083D+01  0.288972D+00  0.192072D+01  0.310530D-01  0.196676D-01
                 6             7             8             9            10 
      1   0.310530D-01  0.331342D+01  0.286735D+01  0.250261D+01  0.621316D-03
      2   0.196676D-01  0.286735D+01  0.191064D+01  0.649097D+00 -0.106510D+02
      3   0.226762D+01  0.250261D+01  0.649097D+00 -0.431556D+01 -0.116944D-03
                11            12            13            14            15 
      1  -0.106510D+02 -0.116944D-03 -0.830799D+01  0.171048D-03 -0.493515D+01
      2   0.306468D-04 -0.485386D+00  0.171048D-03 -0.185120D+01  0.148256D-04
      3  -0.485386D+00  0.475744D-05 -0.493515D+01  0.148256D-04 -0.139580D+01
                16            17            18            19            20 
      1  -0.135705D-03 -0.683713D+01 -0.133923D-03 -0.123752D+02  0.769882D+01
      2  -0.683713D+01  0.000000D+00 -0.145875D+01  0.769882D+01 -0.569468D+01
      3  -0.133923D-03 -0.145875D+01 -0.108923D-03  0.339348D+01 -0.153422D+01
                21            22            23            24            25 
      1   0.339348D+01  0.139265D+02 -0.556214D+01  0.135215D+00  0.113129D+02
      2  -0.153422D+01 -0.556214D+01  0.686409D+01  0.423716D+00 -0.727109D+00
      3  -0.346530D+01  0.135215D+00  0.423716D+00  0.667101D+00 -0.166686D+01
                26            27            28            29            30 
      1  -0.727109D+00 -0.166686D+01  0.655412D+01 -0.436352D+01 -0.706564D+01
      2   0.696842D-01  0.822000D+00 -0.436352D+01  0.433957D+01  0.165381D+01
      3   0.822000D+00  0.235380D+01 -0.706564D+01  0.165381D+01  0.413326D+01
                31            32            33            34            35 
      1  -0.740439D+01  0.859506D+01 -0.132443D+01 -0.119515D+02  0.142416D+00
      2   0.859506D+01 -0.908000D+01  0.171933D+01  0.142416D+00  0.327139D+01
      3  -0.132443D+01  0.171933D+01  0.188418D+01  0.580861D+01  0.373358D+00
                36            37            38            39            40 
      1   0.580861D+01 -0.104617D+02  0.440336D+01 -0.567069D+01 -0.243073D+01
      2   0.373358D+00  0.440336D+01  0.233915D+01  0.289097D+00  0.120141D+01
      3  -0.241438D+01 -0.567069D+01  0.289097D+00 -0.192072D+01  0.311573D-01
                41            42            43            44            45 
      1   0.120141D+01  0.311573D-01 -0.331336D+01  0.286748D+01 -0.250259D+01
      2  -0.408141D+01 -0.197424D-01  0.286748D+01 -0.191065D+01  0.648781D+00
      3  -0.197424D-01  0.226741D+01 -0.250259D+01  0.648781D+00  0.431589D+01
                46            47            48            49            50 
      1   0.123742D+02  0.769875D+01 -0.339335D+01  0.139265D+02  0.556212D+01
      2   0.769875D+01  0.569472D+01 -0.153422D+01  0.556212D+01  0.686425D+01
      3  -0.339335D+01 -0.153422D+01  0.346525D+01  0.135198D+00 -0.423771D+00
                51            52            53            54            55 
      1   0.135198D+00 -0.113128D+02 -0.727119D+00  0.166694D+01 -0.655361D+01
      2  -0.423771D+00 -0.727119D+00 -0.697360D-01  0.822156D+00 -0.436349D+01
      3   0.667229D+00  0.166694D+01  0.822156D+00 -0.235395D+01  0.706556D+01
                56            57            58            59            60 
      1  -0.436349D+01  0.706556D+01 -0.740428D+01 -0.859498D+01 -0.132435D+01
      2  -0.433962D+01  0.165393D+01 -0.859498D+01 -0.907996D+01 -0.171945D+01
      3   0.165393D+01 -0.413331D+01 -0.132435D+01 -0.171945D+01  0.188404D+01
                61            62            63            64            65 
      1   0.119514D+02  0.142522D+00 -0.580873D+01 -0.950372D+00  0.156143D+01
      2   0.142522D+00 -0.327147D+01  0.373155D+00  0.156143D+01 -0.306762D+01
      3  -0.580873D+01  0.373155D+00  0.241456D+01  0.902691D-01  0.764550D+00
                66            67            68            69            70 
      1   0.902691D-01  0.363470D+01 -0.303286D+01  0.799532D+00  0.151683D+01
      2   0.764550D+00 -0.303286D+01  0.105203D+02 -0.220373D+01 -0.373940D+00
      3  -0.729795D+00  0.799532D+00 -0.220373D+01  0.172768D+01 -0.376888D+00
                71            72            73            74            75 
      1  -0.373940D+00 -0.376888D+00  0.106579D+01 -0.905131D-01 -0.426966D+00
      2   0.744863D+00  0.121479D+01 -0.905131D-01 -0.347802D+00 -0.948351D-01
      3   0.121479D+01 -0.116737D+01 -0.426966D+00 -0.948351D-01  0.104783D+01
                76            77            78            79            80 
      1  -0.613590D+00 -0.499453D+00 -0.127979D-01 -0.201614D+01 -0.282070D+00
      2  -0.499453D+00  0.686559D+00 -0.116322D+01 -0.282070D+00 -0.184125D+01
      3  -0.127979D-01 -0.116322D+01 -0.171667D+01 -0.696073D+00  0.175408D+01
                81            82            83            84            85 
      1  -0.696073D+00  0.950341D+00  0.156141D+01 -0.902448D-01  0.363472D+01
      2   0.175408D+01  0.156141D+01  0.306755D+01  0.764596D+00  0.303283D+01
      3  -0.110115D+02 -0.902448D-01  0.764596D+00  0.729822D+00  0.799586D+00
                86            87            88            89            90 
      1   0.303283D+01  0.799586D+00 -0.151674D+01 -0.373874D+00  0.376896D+00
      2   0.105202D+02  0.220390D+01 -0.373874D+00 -0.744683D+00  0.121479D+01
      3   0.220390D+01  0.172775D+01  0.376896D+00  0.121479D+01  0.116744D+01
                91            92            93            94            95 
      1  -0.106578D+01 -0.905365D-01  0.426941D+00 -0.613628D+00  0.499458D+00
      2  -0.905365D-01  0.347815D+00 -0.947929D-01  0.499458D+00  0.686430D+00
      3   0.426941D+00 -0.947929D-01 -0.104783D+01 -0.128056D-01  0.116322D+01
                96            97            98            99           100 
      1  -0.128056D-01  0.201613D+01 -0.282074D+00  0.696051D+00  0.200863D+01
      2   0.116322D+01 -0.282074D+00  0.184117D+01  0.175382D+01 -0.121498D+01
      3  -0.171692D+01  0.696051D+00  0.175382D+01  0.110115D+02 -0.287403D+00
               101           102           103           104           105 
      1  -0.121498D+01 -0.287403D+00 -0.207460D+01  0.128620D+01  0.162145D+01
      2  -0.389335D+00 -0.668376D+00  0.128620D+01 -0.368967D+01 -0.321101D+01
      3  -0.668376D+00 -0.120121D+01  0.162145D+01 -0.321101D+01 -0.363633D+01
               106           107           108           109           110 
      1  -0.974935D+00  0.152053D+01  0.102580D+01  0.131750D+02 -0.266899D+01
      2   0.152053D+01 -0.438809D+01 -0.352123D+01 -0.266899D+01  0.179368D+01
      3   0.102580D+01 -0.352123D+01 -0.454531D+01  0.146189D+01 -0.167320D+00
               111           112           113           114           115 
      1   0.146189D+01 -0.883838D+00  0.121428D+01  0.121749D+01  0.478462D+01
      2  -0.167320D+00  0.121428D+01 -0.294133D+00 -0.511556D+00  0.271302D+00
      3   0.115665D+01  0.121749D+01 -0.511556D+00 -0.495504D+00  0.142665D+01
               116           117           118           119           120 
      1   0.271302D+00  0.142665D+01 -0.131750D+02 -0.266907D+01 -0.146192D+01
      2  -0.561168D+00 -0.562446D+00 -0.266907D+01 -0.179372D+01 -0.167354D+00
      3  -0.562446D+00  0.665234D+00 -0.146192D+01 -0.167354D+00 -0.115663D+01
               121           122           123           124           125 
      1  -0.883976D+00 -0.121437D+01  0.121747D+01 -0.478464D+01  0.271254D+00
      2  -0.121437D+01 -0.294217D+00  0.511579D+00  0.271254D+00  0.561181D+00
      3   0.121747D+01  0.511579D+00 -0.495509D+00 -0.142661D+01 -0.562429D+00
               126           127           128           129           130 
      1  -0.142661D+01 -0.200857D+01 -0.121496D+01  0.287371D+00 -0.207460D+01
      2  -0.562429D+00 -0.121496D+01  0.389425D+00 -0.668449D+00 -0.128623D+01
      3  -0.665253D+00  0.287371D+00 -0.668449D+00  0.120126D+01  0.162139D+01
               131           132           133           134           135 
      1  -0.128623D+01  0.162139D+01  0.974899D+00  0.152047D+01 -0.102567D+01
      2  -0.368985D+01  0.321104D+01  0.152047D+01  0.438814D+01 -0.352116D+01
      3   0.321104D+01 -0.363627D+01 -0.102567D+01 -0.352116D+01  0.454509D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.139782D+01 -0.370897D+01 -0.369577D+01 -0.466586D+00 -0.105663D+02
      2   0.677983D+00 -0.201323D+00  0.283964D+01 -0.479818D+01  0.607853D+01
      3   0.397245D+01  0.330397D+01  0.477801D+01  0.590165D+01  0.318897D+01
                 6             7             8             9            10 
      1  -0.885209D+01 -0.246110D+01  0.822006D+01  0.115577D+02 -0.156718D-03
      2   0.498219D+01 -0.271985D+01 -0.135055D+01 -0.890517D+01  0.741701D+01
      3   0.822236D+00  0.410091D+01 -0.139170D+01 -0.565418D+00  0.510018D-03
                11            12            13            14            15 
      1   0.556193D+00  0.193481D-05 -0.106361D+02  0.288726D-04 -0.253500D+01
      2   0.129224D-05  0.975739D+01 -0.162064D-04 -0.338319D+01 -0.561973D-04
      3  -0.166303D+02 -0.317033D-04  0.184317D+02  0.713079D-04 -0.507743D+00
                16            17            18            19            20 
      1  -0.133447D-03  0.885602D+00  0.154437D-04 -0.602438D+00  0.239961D+01
      2  -0.224978D+02 -0.124120D-03  0.150989D+01  0.100162D+01  0.136288D+01
      3  -0.757723D-05 -0.384022D+01 -0.176775D-04  0.583864D+00  0.581736D+01
                21            22            23            24            25 
      1  -0.554211D+01  0.360448D+01 -0.773743D+01 -0.204713D+01 -0.102096D+02
      2  -0.446944D+01  0.106486D+01 -0.237364D+01  0.277044D+01 -0.176426D+02
      3  -0.468226D+01  0.226687D+02 -0.188171D+02  0.178515D+00  0.126134D+00
                26            27            28            29            30 
      1   0.576306D+01  0.515328D+01 -0.590149D+01 -0.258560D+01  0.526294D+01
      2   0.394059D+01  0.591305D+01 -0.158929D+02  0.629815D+01  0.102789D+02
      3   0.150289D+01  0.396466D+01  0.109555D+02 -0.125663D+02 -0.127088D+01
                31            32            33            34            35 
      1  -0.279219D+01  0.257942D+01 -0.243511D+01  0.179460D+01  0.340283D+01
      2  -0.371161D+01  0.786430D+01  0.430851D+01  0.223459D+01  0.603634D+01
      3  -0.108691D+02  0.153568D+02 -0.677484D+01  0.764267D+01 -0.873757D+01
                36            37            38            39            40 
      1   0.151559D+01 -0.139785D+01 -0.370915D+01  0.369567D+01 -0.466741D+00
      2  -0.378442D+01  0.677930D+00  0.201113D+00  0.283980D+01  0.479790D+01
      3  -0.726761D+01 -0.397247D+01  0.330420D+01 -0.477783D+01  0.590185D+01
                41            42            43            44            45 
      1   0.105662D+02 -0.885152D+01  0.246100D+01  0.822070D+01 -0.115579D+02
      2   0.607859D+01 -0.498175D+01 -0.271946D+01  0.135127D+01 -0.890565D+01
      3  -0.318889D+01  0.822098D+00 -0.410072D+01 -0.139168D+01  0.565063D+00
                46            47            48            49            50 
      1   0.602709D+00  0.239946D+01  0.554217D+01  0.360436D+01  0.773745D+01
      2   0.100181D+01 -0.136262D+01 -0.446957D+01 -0.106448D+01 -0.237346D+01
      3  -0.584501D+00  0.581699D+01  0.468219D+01  0.226684D+02  0.188170D+02
                51            52            53            54            55 
      1  -0.204687D+01  0.102098D+02  0.576332D+01 -0.515324D+01  0.590142D+01
      2  -0.277073D+01 -0.176429D+02 -0.394100D+01  0.591337D+01 -0.158929D+02
      3   0.178782D+00 -0.126196D+00  0.150321D+01 -0.396448D+01 -0.109554D+02
                56            57            58            59            60 
      1  -0.258539D+01 -0.526308D+01 -0.279206D+01 -0.257948D+01 -0.243515D+01
      2  -0.629863D+01  0.102791D+02  0.371121D+01  0.786435D+01 -0.430820D+01
      3  -0.125664D+02  0.127116D+01 -0.108689D+02 -0.153564D+02 -0.677524D+01
                61            62            63            64            65 
      1  -0.179471D+01  0.340286D+01 -0.151545D+01 -0.186048D+01  0.361574D+01
      2   0.223526D+01 -0.603588D+01 -0.378511D+01 -0.260529D+01  0.112524D+01
      3  -0.764253D+01 -0.873802D+01  0.726736D+01  0.189214D+01 -0.304962D+01
                66            67            68            69            70 
      1  -0.428881D+00  0.247945D+01 -0.114431D+02 -0.166132D+01 -0.323407D-02
      2   0.130253D+01  0.208724D+01 -0.105908D+01 -0.161556D+01  0.708339D-01
      3   0.996138D+00  0.275694D+01  0.865225D+01 -0.202211D+01  0.102169D+01
                71            72            73            74            75 
      1  -0.208244D+01  0.182448D+00  0.155655D+01 -0.338658D+00 -0.110643D+01
      2  -0.196715D+01  0.131790D+01  0.293263D+01 -0.488571D+00 -0.677010D+00
      3   0.395842D+00  0.921507D+00 -0.813722D+00 -0.145939D+01  0.846921D-02
                76            77            78            79            80 
      1   0.144598D+00 -0.188103D-01  0.336278D+01  0.551746D+00  0.237693D+01
      2  -0.878430D+00  0.103163D+01  0.279118D+01 -0.396976D+01 -0.260407D+01
      3  -0.564930D+00  0.114564D+00 -0.158093D+01 -0.294532D+01 -0.196749D+01
                81            82            83            84            85 
      1   0.117928D+02  0.186046D+01  0.361567D+01  0.428971D+00  0.247939D+01
      2   0.129951D+02 -0.260522D+01 -0.112517D+01  0.130252D+01 -0.208725D+01
      3   0.318636D+00 -0.189217D+01 -0.304958D+01 -0.996178D+00  0.275697D+01
                86            87            88            89            90 
      1   0.114432D+02 -0.166108D+01  0.328560D-02 -0.208214D+01 -0.182524D+00
      2  -0.105893D+01  0.161556D+01  0.708092D-01  0.196704D+01  0.131797D+01
      3  -0.865215D+01 -0.202223D+01 -0.102159D+01  0.395719D+00 -0.921488D+00
                91            92            93            94            95 
      1  -0.155655D+01 -0.338710D+00  0.110641D+01  0.144580D+00  0.186509D-01
      2   0.293257D+01  0.488661D+00 -0.676955D+00  0.878540D+00  0.103163D+01
      3   0.813797D+00 -0.145936D+01 -0.854712D-02 -0.564970D+00 -0.114416D+00
                96            97            98            99           100 
      1   0.336311D+01 -0.551705D+00  0.237727D+01 -0.117926D+02  0.115975D+01
      2  -0.279149D+01 -0.396979D+01  0.260372D+01  0.129949D+02 -0.108124D+01
      3  -0.158097D+01  0.294518D+01 -0.196740D+01 -0.318359D+00  0.208163D+01
               101           102           103           104           105 
      1   0.140847D+00 -0.226412D+01  0.356117D+01 -0.124907D+01 -0.493001D+01
      2  -0.220649D+01 -0.254289D+01  0.104302D+01 -0.754211D+01 -0.882993D+01
      3   0.164077D+01  0.236897D+01 -0.798164D+00  0.880522D+01  0.807998D+01
               106           107           108           109           110 
      1  -0.126378D+01  0.171490D+01 -0.467974D+01  0.298923D+01  0.199096D+00
      2   0.143626D+01 -0.981831D+01 -0.108233D+02  0.100896D+02 -0.280090D+01
      3  -0.190039D+01  0.113013D+02  0.950931D+01 -0.492719D+01 -0.546089D+01
               111           112           113           114           115 
      1   0.120360D+01 -0.437032D-01  0.178980D+00 -0.422273D+00  0.178184D+01
      2   0.664156D+01  0.329526D+01 -0.230817D+01 -0.125483D+01  0.297698D+01
      3  -0.791635D+00  0.551458D+00 -0.810454D+00  0.383576D+00 -0.589159D+01
               116           117           118           119           120 
      1   0.250352D+00  0.983094D-01 -0.298924D+01  0.199073D+00 -0.120364D+01
      2  -0.761765D+00  0.369965D+01  0.100895D+02  0.280100D+01  0.664152D+01
      3   0.816829D+00  0.161350D+01  0.492719D+01 -0.546089D+01  0.791607D+00
               121           122           123           124           125 
      1  -0.436595D-01 -0.178932D+00 -0.422305D+00 -0.178179D+01  0.250315D+00
      2  -0.329512D+01 -0.230819D+01  0.125490D+01  0.297677D+01  0.761702D+00
      3   0.551277D+00  0.810234D+00  0.383667D+00  0.589148D+01  0.816923D+00
               126           127           128           129           130 
      1  -0.983201D-01 -0.115974D+01  0.140792D+00  0.226426D+01  0.356110D+01
      2   0.369970D+01 -0.108128D+01  0.220666D+01 -0.254300D+01 -0.104294D+01
      3  -0.161349D+01 -0.208169D+01  0.164104D+01 -0.236918D+01 -0.798154D+00
               131           132           133           134           135 
      1   0.124919D+01 -0.493010D+01  0.126386D+01  0.171483D+01  0.467966D+01
      2  -0.754225D+01  0.882978D+01  0.143603D+01  0.981818D+01 -0.108228D+02
      3  -0.880569D+01  0.808014D+01  0.190028D+01  0.113014D+02 -0.950917D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.384479D+01  0.981217D+01  0.531522D+01  0.303975D+01  0.371577D+01
      2  -0.502279D+01 -0.142814D+02 -0.993392D+01 -0.547628D+01 -0.187075D+02
      3   0.886758D+01  0.446926D+01  0.461870D+01  0.243654D+01  0.149917D+02
      4   0.483193D+01 -0.629514D+01  0.224526D+01 -0.128073D+01 -0.216375D+02
      5   0.214274D+02  0.671538D+01  0.124122D+02  0.530351D+00 -0.356680D+01
      6   0.140591D+02 -0.177377D+01  0.217942D+01 -0.325723D+01 -0.340291D+01
                 6             7             8             9            10 
      1  -0.449382D+01 -0.520090D+01 -0.554906D+00  0.170534D+02  0.262755D+02
      2  -0.547401D+01 -0.225268D+01  0.530620D+01  0.114539D+02 -0.556803D+01
      3   0.996782D+01  0.745357D+01 -0.475129D+01 -0.285073D+02 -0.207075D+02
      4  -0.419644D+01  0.883322D+01  0.199385D+01  0.147274D+01 -0.531390D-03
      5   0.205903D+01  0.148090D+02  0.385138D+01 -0.339594D+01 -0.389761D+02
      6   0.421226D+01  0.675284D+01  0.658289D+01  0.193708D+01  0.506559D-03
                11            12            13            14            15 
      1  -0.113441D-03  0.576641D+00 -0.224470D-03  0.354307D+01 -0.281285D-04
      2   0.175581D-03  0.371705D+01  0.256942D-03  0.307900D+01  0.156971D-03
      3  -0.621403D-04 -0.429369D+01 -0.324722D-04 -0.662207D+01 -0.128843D-03
      4   0.176990D+02  0.146988D-03 -0.546078D+01 -0.780595D-05  0.264877D+01
      5   0.194124D-03  0.202842D+01  0.253026D-03 -0.969855D+01  0.247493D-04
      6  -0.778385D+01 -0.604179D-04 -0.110284D+02  0.287512D-03 -0.428432D+01
                16            17            18            19            20 
      1   0.119721D+02 -0.109343D-04 -0.431236D+01 -0.292238D+02  0.841991D+01
      2  -0.125204D+01  0.317432D-03 -0.679029D-01  0.111376D+02  0.502561D+01
      3  -0.107201D+02 -0.306497D-03  0.438027D+01  0.180863D+02 -0.134455D+02
      4   0.202382D-03  0.221017D+01 -0.112042D-04  0.252915D+02 -0.250269D+02
      5  -0.228280D+02 -0.930599D-04 -0.547134D+01  0.314744D+02 -0.107062D+02
      6  -0.112628D-03 -0.764464D+01 -0.238010D-03 -0.748288D+01  0.276496D+01
                21            22            23            24            25 
      1   0.118567D+02  0.216660D+02 -0.150063D+02 -0.200858D+01  0.177444D+02
      2  -0.870627D+01 -0.693776D+01  0.350968D+01  0.521742D+01 -0.741729D+01
      3  -0.315041D+01 -0.147282D+02  0.114966D+02 -0.320884D+01 -0.103271D+02
      4  -0.685052D+01 -0.226265D+02  0.328959D+02 -0.447665D+00 -0.194545D+02
      5  -0.182275D+02 -0.145281D+02  0.611943D+01  0.913272D+01 -0.677696D+01
      6   0.441717D+01  0.688825D+01 -0.428211D+01  0.461592D+01  0.676339D+01
                26            27            28            29            30 
      1  -0.102811D+01 -0.150237D+02  0.320945D+01 -0.772953D+01 -0.261202D+02
      2  -0.411852D+01  0.348995D+01 -0.362809D+01 -0.430970D+00  0.173093D+02
      3   0.514664D+01  0.115337D+02  0.418649D+00  0.816050D+01  0.881085D+01
      4   0.175456D+01  0.348638D+01 -0.131031D+02  0.226882D+02  0.119650D+02
      5   0.220339D+01  0.938759D+01 -0.443169D+02  0.102049D+02  0.233603D+02
      6   0.617692D+01 -0.566219D+01  0.107487D+02 -0.580808D+01 -0.366732D+01
                31            32            33            34            35 
      1  -0.441977D+01  0.138819D+02  0.700825D+01 -0.458795D+02  0.144213D+02
      2  -0.151319D+02  0.141438D+02 -0.166086D+01  0.327854D+02 -0.141688D+02
      3   0.195516D+02 -0.280257D+02 -0.534740D+01  0.130941D+02 -0.252468D+00
      4   0.465781D+02 -0.436026D+02  0.417347D+01  0.652551D+01  0.104839D+02
      5  -0.452693D+01  0.526581D+01  0.756872D+01  0.367257D+02 -0.193445D+01
      6  -0.208689D+01 -0.883020D+01 -0.342511D+01 -0.722980D+01 -0.175203D+01
                36            37            38            39            40 
      1   0.227352D+02 -0.384476D+01 -0.981213D+01  0.531481D+01 -0.303952D+01
      2  -0.188494D+02 -0.502218D+01  0.142818D+02 -0.993349D+01  0.547655D+01
      3  -0.388577D+01  0.886694D+01 -0.446966D+01  0.461868D+01 -0.243703D+01
      4  -0.570254D+00 -0.483217D+01 -0.629516D+01 -0.224562D+01 -0.128049D+01
      5  -0.166561D+02  0.214273D+02 -0.671582D+01  0.124120D+02 -0.530786D+00
      6  -0.727490D+01 -0.140593D+02 -0.177326D+01 -0.217978D+01 -0.325683D+01
                41            42            43            44            45 
      1   0.371580D+01  0.449315D+01 -0.520113D+01  0.554121D+00  0.170542D+02
      2  -0.187077D+02  0.547314D+01 -0.225217D+01 -0.530729D+01  0.114541D+02
      3   0.149919D+02 -0.996629D+01  0.745330D+01  0.475317D+01 -0.285083D+02
      4   0.216380D+02 -0.419610D+01 -0.883378D+01  0.199425D+01 -0.147227D+01
      5  -0.356637D+01 -0.205901D+01  0.148088D+02 -0.385096D+01 -0.339663D+01
      6   0.340197D+01  0.421259D+01 -0.675304D+01  0.658251D+01 -0.193540D+01
                46            47            48            49            50 
      1  -0.292227D+02 -0.841997D+01  0.118566D+02 -0.216660D+02 -0.150065D+02
      2   0.111368D+02 -0.502560D+01 -0.870614D+01  0.693745D+01  0.350943D+01
      3   0.180859D+02  0.134456D+02 -0.315043D+01  0.147286D+02  0.114971D+02
      4  -0.252904D+02 -0.250268D+02  0.685062D+01 -0.226269D+02 -0.328963D+02
      5   0.314738D+02  0.107063D+02 -0.182272D+02  0.145281D+02  0.611958D+01
      6   0.748221D+01  0.276464D+01 -0.441720D+01  0.688811D+01  0.428158D+01
                51            52            53            54            55 
      1   0.200918D+01  0.177439D+02  0.102865D+01 -0.150241D+02  0.320855D+01
      2  -0.521780D+01 -0.741670D+01  0.411817D+01  0.348985D+01 -0.362753D+01
      3   0.320861D+01 -0.103272D+02 -0.514683D+01  0.115343D+02  0.418987D+00
      4  -0.447482D+00  0.194546D+02  0.175447D+01 -0.348687D+01  0.131023D+02
      5  -0.913302D+01 -0.677661D+01 -0.220377D+01  0.938787D+01 -0.443163D+02
      6   0.461582D+01 -0.676325D+01  0.617717D+01  0.566226D+01 -0.107487D+02
                56            57            58            59            60 
      1   0.772918D+01 -0.261197D+02  0.441928D+01  0.138820D+02 -0.700899D+01
      2   0.431156D+00  0.173090D+02  0.151319D+02  0.141435D+02  0.166177D+01
      3  -0.816033D+01  0.881073D+01 -0.195512D+02 -0.280255D+02  0.534723D+01
      4   0.226881D+02 -0.119655D+02  0.465774D+02  0.436023D+02  0.417377D+01
      5  -0.102053D+02  0.233603D+02  0.452642D+01  0.526615D+01 -0.756800D+01
      6  -0.580827D+01  0.366770D+01 -0.208657D+01  0.883100D+01 -0.342513D+01
                61            62            63            64            65 
      1  -0.458790D+02 -0.144221D+02  0.227353D+02  0.381317D+01  0.186084D+01
      2   0.327851D+02  0.141697D+02 -0.188497D+02  0.351374D+01 -0.870132D+01
      3   0.130939D+02  0.252342D+00 -0.388563D+01 -0.732691D+01  0.684049D+01
      4  -0.652623D+01  0.104839D+02  0.571306D+00 -0.101891D+02  0.171125D+02
      5   0.367262D+02  0.193547D+01 -0.166570D+02  0.915428D+00 -0.456676D+01
      6   0.723040D+01 -0.175172D+01  0.727436D+01 -0.139394D+01  0.510711D+01
                66            67            68            69            70 
      1  -0.183128D+01  0.100184D+01 -0.213271D+02  0.575845D+01 -0.188578D+01
      2   0.253466D+01 -0.886018D+01  0.410039D+02 -0.531176D+01  0.177982D+00
      3  -0.703378D+00  0.785834D+01 -0.196768D+02 -0.446693D+00  0.170780D+01
      4  -0.377351D+01  0.159993D+02 -0.344497D+02  0.755328D+01  0.162736D+01
      5   0.398322D+01 -0.487927D+01  0.923525D+01 -0.536371D+01  0.761245D+00
      6  -0.249120D+01  0.692935D+01 -0.171749D+02  0.951450D+01 -0.137448D+01
                71            72            73            74            75 
      1   0.634324D+00 -0.486602D+01 -0.492509D+00  0.254548D+00  0.428154D+01
      2   0.509011D+01  0.996425D+00 -0.206300D+01 -0.632147D+00  0.108298D+01
      3  -0.572443D+01  0.386959D+01  0.255551D+01  0.377599D+00 -0.536452D+01
      4  -0.207343D+01 -0.420472D+01  0.872247D+00  0.313687D+01 -0.172930D+01
      5  -0.371456D+01  0.269159D+01 -0.489286D+00 -0.797984D+00  0.543474D+01
      6   0.529864D+01 -0.268208D+01  0.105311D+01 -0.194469D+00  0.118067D+01
                76            77            78            79            80 
      1   0.216006D+01 -0.435003D+01 -0.380426D+01  0.140052D+01  0.692107D+01
      2  -0.197624D+01  0.277656D+01 -0.630220D+01 -0.242800D+01 -0.456083D+00
      3  -0.183823D+00  0.157347D+01  0.101065D+02  0.102749D+01 -0.646499D+01
      4   0.237315D+01 -0.241293D+01  0.313555D+01 -0.152430D+00  0.447372D+01
      5   0.225802D+01  0.295151D+01  0.276985D+01  0.645629D+01 -0.372833D+01
      6   0.146905D+01 -0.124007D+01  0.568750D+01 -0.886295D+00  0.802544D+01
                81            82            83            84            85 
      1  -0.318877D+02  0.381312D+01 -0.186085D+01 -0.183134D+01 -0.100180D+01
      2  -0.217957D+02  0.351365D+01  0.870098D+01  0.253475D+01  0.885976D+01
      3   0.536834D+02 -0.732677D+01 -0.684014D+01 -0.703405D+00 -0.785796D+01
      4  -0.316201D+01  0.101889D+02  0.171121D+02  0.377375D+01  0.159991D+02
      5   0.196926D+02  0.915580D+00  0.456699D+01  0.398337D+01  0.487963D+01
      6  -0.124764D+02  0.139415D+01  0.510738D+01  0.249139D+01  0.692968D+01
                86            87            88            89            90 
      1  -0.213271D+02 -0.575886D+01 -0.188583D+01 -0.634677D+00 -0.486613D+01
      2   0.410032D+02  0.531223D+01  0.178144D+00 -0.508942D+01  0.996338D+00
      3  -0.196761D+02  0.446629D+00  0.170769D+01  0.572409D+01  0.386979D+01
      4   0.344491D+02  0.755379D+01 -0.162705D+01 -0.207281D+01  0.420473D+01
      5   0.923577D+01  0.536401D+01  0.761285D+00  0.371461D+01  0.269182D+01
      6   0.171761D+02  0.951497D+01  0.137458D+01  0.529869D+01  0.268232D+01
                91            92            93            94            95 
      1  -0.492470D+00 -0.254730D+00  0.428143D+01 -0.216010D+01 -0.434991D+01
      2  -0.206292D+01  0.632128D+00  0.108306D+01  0.197622D+01  0.277631D+01
      3   0.255539D+01 -0.377398D+00 -0.536449D+01  0.183877D+00  0.157360D+01
      4  -0.872273D+00  0.313678D+01  0.172920D+01  0.237315D+01  0.241260D+01
      5  -0.489334D+00  0.797891D+00  0.543471D+01 -0.225818D+01  0.295150D+01
      6  -0.105329D+01 -0.194391D+00 -0.118050D+01  0.146910D+01  0.123967D+01
                96            97            98            99           100 
      1   0.380507D+01  0.140047D+01 -0.692023D+01 -0.318875D+02  0.819895D+01
      2   0.630254D+01 -0.242794D+01  0.456405D+00 -0.217960D+02 -0.202008D+01
      3  -0.101076D+02  0.102746D+01  0.646382D+01  0.536834D+02 -0.617887D+01
      4   0.313555D+01  0.152292D+00  0.447357D+01  0.316159D+01 -0.687320D+01
      5  -0.277024D+01  0.645615D+01  0.372790D+01  0.196924D+02 -0.105441D+01
      6   0.568754D+01  0.886232D+00  0.802491D+01  0.124747D+02  0.161829D+01
               101           102           103           104           105 
      1  -0.826604D+01 -0.555109D+01 -0.433969D+01 -0.112195D+02 -0.874859D+01
      2   0.410225D+01  0.132890D+01  0.351832D+01  0.109406D+02  0.465754D+01
      3   0.416379D+01  0.422219D+01  0.821373D+00  0.278965D+00  0.409105D+01
      4   0.376608D+01  0.823953D+00  0.954694D+01 -0.141872D+02 -0.122408D+02
      5   0.198398D+00 -0.996110D+00  0.900525D+01 -0.128830D+02 -0.157664D+02
      6   0.273906D+01  0.311481D+01 -0.541563D+01  0.159517D+02  0.155632D+02
               106           107           108           109           110 
      1   0.155902D+01 -0.125803D+02 -0.153834D+02  0.821806D+02 -0.119122D+02
      2  -0.302927D+01  0.112791D+02  0.415339D+01 -0.376230D+02  0.299357D+01
      3   0.147024D+01  0.130119D+01  0.112300D+02 -0.445576D+02  0.891863D+01
      4   0.778531D+01 -0.166471D+02 -0.126690D+02 -0.296414D+02  0.159415D+02
      5   0.647291D+01 -0.132766D+02 -0.174518D+02  0.919169D+01 -0.168767D+01
      6  -0.567871D+01  0.169174D+02  0.182776D+02 -0.649970D+01  0.105673D+01
               111           112           113           114           115 
      1   0.864153D+01 -0.442409D+01  0.575234D+01  0.289950D+01  0.278362D+02
      2  -0.391472D+01  0.106425D+01 -0.164294D+01 -0.132862D+01 -0.156509D+02
      3  -0.472681D+01  0.335983D+01 -0.410939D+01 -0.157088D+01 -0.121853D+02
      4  -0.266787D+01  0.987428D+01 -0.260694D+01 -0.164194D+01 -0.277246D+01
      5   0.952155D+01  0.727352D+01 -0.227359D+01 -0.290890D+01  0.107000D+02
      6  -0.339928D+01 -0.135274D+01  0.174007D+01  0.247611D+01 -0.435939D+01
               116           117           118           119           120 
      1  -0.245053D+01  0.519309D+01  0.821805D+02  0.119126D+02  0.864157D+01
      2   0.153296D+01 -0.374977D+01 -0.376229D+02 -0.299365D+01 -0.391477D+01
      3   0.917565D+00 -0.144332D+01 -0.445575D+02 -0.891892D+01 -0.472680D+01
      4  -0.109103D+01 -0.457667D+01  0.296423D+02  0.159419D+02  0.266806D+01
      5  -0.301496D+01  0.612819D+01  0.919193D+01  0.168785D+01  0.952151D+01
      6   0.274571D+01 -0.850469D+00  0.649983D+01  0.105683D+01  0.339931D+01
               121           122           123           124           125 
      1   0.442467D+01  0.575254D+01 -0.289937D+01  0.278360D+02  0.245079D+01
      2  -0.106436D+01 -0.164289D+01  0.132852D+01 -0.156509D+02 -0.153314D+01
      3  -0.336032D+01 -0.410965D+01  0.157084D+01 -0.121851D+02 -0.917650D+00
      4   0.987497D+01  0.260753D+01 -0.164203D+01  0.277288D+01 -0.109102D+01
      5  -0.727339D+01 -0.227369D+01  0.290894D+01  0.106998D+02  0.301487D+01
      6  -0.135273D+01 -0.174012D+01  0.247613D+01  0.435931D+01  0.274571D+01
               126           127           128           129           130 
      1   0.519290D+01  0.819867D+01  0.826634D+01 -0.555118D+01  0.433965D+01
      2  -0.374965D+01 -0.201989D+01 -0.410255D+01  0.132900D+01 -0.351804D+01
      3  -0.144326D+01 -0.617878D+01 -0.416379D+01  0.422218D+01 -0.821606D+00
      4   0.457662D+01  0.687300D+01  0.376590D+01 -0.823695D+00  0.954708D+01
      5   0.612830D+01 -0.105415D+01 -0.198117D+00 -0.996426D+00 -0.900486D+01
      6   0.850524D+00 -0.161815D+01  0.273940D+01 -0.311512D+01 -0.541560D+01
               131           132           133           134           135 
      1  -0.112201D+02  0.874889D+01  0.155898D+01  0.125806D+02 -0.153833D+02
      2   0.109415D+02 -0.465809D+01 -0.302947D+01 -0.112797D+02  0.415396D+01
      3   0.278609D+00 -0.409081D+01  0.147048D+01 -0.130089D+01  0.112293D+02
      4   0.141877D+02 -0.122408D+02 -0.778495D+01 -0.166470D+02  0.126685D+02
      5  -0.128830D+02  0.157660D+02  0.647224D+01  0.132761D+02 -0.174506D+02
      6  -0.159521D+02  0.155632D+02  0.567831D+01  0.169173D+02 -0.182771D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.191962D+00      0.487918D+00      0.162752D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.191962D+00      0.487918D+00      0.162752D+01
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.852990D+02      0.126400D+02      0.140639D+02
   aniso      0.373661D+02      0.553708D+01      0.616084D+01
   xx         0.109553D+03      0.162341D+02      0.180628D+02
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.764922D+02      0.113350D+02      0.126119D+02
   zx        -0.363271D+01     -0.538312D+00     -0.598953D+00
   zy        -0.172710D-04     -0.255930D-05     -0.284760D-05
   zz         0.698520D+02      0.103510D+02      0.115170D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.896060D+02      0.132782D+02      0.147740D+02
   aniso      0.401371D+02      0.594770D+01      0.661771D+01
   xx         0.115468D+03      0.171106D+02      0.190381D+02
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.803449D+02      0.119059D+02      0.132471D+02
   zx        -0.467907D+01     -0.693367D+00     -0.771475D+00
   zy        -0.141414D-04     -0.209554D-05     -0.233161D-05
   zz         0.730051D+02      0.108182D+02      0.120369D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.87101396         -1.89800546          1.71687623
     6          0.00001414         -0.00000484          0.66730765
     6          2.55746347         -0.05110177         -0.25689623
     6          4.29158929          0.87118401         -1.78401959
     6         -1.87094092          1.89795248          1.71702826
     6         -2.55748337          0.05112294         -0.25677291
     6         -4.29166176         -0.87113989         -1.78384947
     1         -2.56419996          1.59212247          3.62305156
     1         -1.63317316          3.86513141          1.18917404
     1          2.56435890         -1.59224144          3.62287838
     1          1.63322083         -3.86516271          1.18895558
     1          3.86949091          2.41531064         -3.05971705
     1          6.19333457          0.11503323         -1.81151500
     1         -6.19341214         -0.11500020         -1.81126572
     1         -3.86959066         -2.41523067         -3.05960164

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.191962D+00      0.487918D+00      0.162752D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.191962D+00      0.487918D+00      0.162752D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.852990D+02      0.126400D+02      0.140639D+02
   aniso      0.373661D+02      0.553708D+01      0.616084D+01
   xx         0.109553D+03      0.162340D+02      0.180628D+02
   yx         0.363367D+01      0.538454D+00      0.599111D+00
   yy         0.698521D+02      0.103510D+02      0.115171D+02
   zx        -0.787298D-03     -0.116666D-03     -0.129808D-03
   zy        -0.993721D-04     -0.147254D-04     -0.163843D-04
   zz         0.764922D+02      0.113350D+02      0.126119D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.896060D+02      0.132782D+02      0.147740D+02
   aniso      0.401371D+02      0.594770D+01      0.661771D+01
   xx         0.115468D+03      0.171106D+02      0.190381D+02
   yx         0.468009D+01      0.693518D+00      0.771643D+00
   yy         0.730053D+02      0.108183D+02      0.120370D+02
   zx        -0.827293D-03     -0.122592D-03     -0.136402D-03
   zy        -0.130731D-03     -0.193723D-04     -0.215546D-04
   zz         0.803449D+02      0.119059D+02      0.132471D+02

 ----------------------------------------------------------------------
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 HO!  SUCH BUGS AND GOBLINS IN MY LIFE!

                            -- HAMLET, ACT 5, SCENE 2
 Job cpu time:       0 days  1 hours 16 minutes 18.3 seconds.
 Elapsed time:       0 days  0 hours  4 minutes 47.6 seconds.
 File lengths (MBytes):  RWF=    128 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 17:40:57 2021.
